SCHEMBL8724960

SCHEMBL8724960

NCC(N)c1cccc(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ADAMTS4 O75173 1/20 0.44
EGFR P00533 1/20 0.44
FYN P06241 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CA6 P23280 1/20 0.44
CDK2 P24941 1/20 0.44
MMP12 P39900 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
DBH P09172 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3054160 0.83 LMNA (0.44) LMNAHPGDCA1CA2ALDH1A1
SCHEMBL9750794 0.83 TSHR (0.48) LMNAHPGDCA2ALDH1A1ALOX15
SCHEMBL11043623 0.81 ADRA2A (0.55) LMNAHPGDCA1CA2ALDH1A1
SCHEMBL4334723 0.81 ADRA2A (0.55) LMNAHPGDCA1CA2ALDH1A1
SCHEMBL632462 0.78 TSHR (0.48) LMNAHPGDCA1CA2ALDH1A1
SCHEMBL16638968 0.76 LMNA (0.50) LMNAHPGDCA1CA2ALDH1A1
SCHEMBL135746 0.74 LMNA (0.50) LMNAHPGDCA1CA2ALDH1A1
SCHEMBL10867172 0.71 TSHR (0.38) LMNAHPGDALOX15RECQLTDP1
SCHEMBL8582907 0.70 LMNA (0.55) LMNAHPGDCA1CA2ALDH1A1
SCHEMBL9495858 0.70 HPGD (0.48) LMNAHPGDCA1CA2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5227333-A Selective etchingof a semiconductor substrate covered by a blanket of germanium and an overcoating of an electroconductive layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-07-13 US claimed
US-4065840-A Method for fabricating a DSDT target INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1978-01-03 US claimed
JP-55022836-A None JP disclosed
EP-3394057-B1 SYNTHETIC METHOD FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]LSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) NEUROCRINE BIOSCIENCES INC (US) 2022-03-30 EP disclosed
US-10919892-B2 Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) NEUROCRINE BIOSCIENCES, INC. (US) 2021-02-16 US disclosed
US-10906902-B2 Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1,-a]isoquinolin-2-2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) NEUROCRINE BIOSCIENCES, INC. (US) 2021-02-02 US disclosed
US-10906903-B2 Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1,-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) NEUROCRINE BIOSCIENCES, INC. (US) 2021-02-02 US disclosed
US-20200347054-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) NEUROCRINE BIOSCIENCES, INC. 2020-11-05 US disclosed
US-20200347056-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) NEUROCRINE BIOSCIENCES, INC. 2020-11-05 US disclosed
US-20200347057-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) AGNO PHARMA USA 2020-11-05 US disclosed
US-20200347055-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) NEUROCRINE BIOSCIENCES, INC. 2020-11-05 US disclosed
US-5751156-A Mechanically controllable break transducer YALE UNIVERSITY (US) 1998-05-12 US disclosed
EP-0144762-B1 METHODS FOR FORMING CLOSELY SPACED OPENINGS AND FOR MAKING CONTACTS TO SEMICONDUCTOR DEVICE SURFACES International Business Machines Corporation (US) 1988-10-19 EP disclosed
US-4641170-A Self-aligned lateral bipolar transistors INTERNATIONAL BUSINESS MACHINES CORPORATION 1987-02-03 US disclosed
US-4551906-A Method for making self-aligned lateral bipolar transistors INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1985-11-12 US disclosed
EP-0144762-A1 Methods for forming closely spaced openings and for making contacts to semiconductor device surfaces International Business Machines Corporation (US) 1985-06-19 EP disclosed
US-4407058-A Method of making dense vertical FET's INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1983-10-04 US disclosed
JP-S5522836-A SEMICONDUCTOR DEVICE KANDA YOZO 1980-02-18 JP disclosed
US-4065840-A Method for fabricating a DSDT target INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1978-01-03 US disclosed
US-3971860-A Method for making device for high resolution electron beam fabrication INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1976-07-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200347054-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) CYP2S1, CYP26B1, UGT2B7 LMNA 387/4885HPGD 1475/4885CA1 3558/4885
US-20200347055-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) CYP2S1, CYP26B1, UGT2B7 LMNA 387/4885HPGD 1475/4885CA1 3558/4885
US-20200347056-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) CYP2S1, CYP26B1, UGT2B7 LMNA 387/4885HPGD 1475/4885CA1 3558/4885
US-20200347057-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) CYP2S1, CYP26B1, UGT2B7 LMNA 387/4885HPGD 1475/4885CA1 3558/4885
US-10919892-B2 Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) CYP2S1, CYP26B1, CYP4B1 LMNA 1865/4885HPGD 1118/4885CA1 3911/4885
US-10906903-B2 Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1,-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) CYP2S1, CYP26B1, CYP4B1 LMNA 1653/4885HPGD 1023/4885CA1 3589/4885
US-10906902-B2 Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1,-a]isoquinolin-2-2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) CYP2S1, CYP26B1, CYP4B1 LMNA 1793/4885HPGD 998/4885CA1 3852/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.