SCHEMBL2632916

SCHEMBL2632916

CNC(=O)Nc1cc(C)on1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 2/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 2/20 0.59
EGFR P00533 1/20 0.59
POLB P06746 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
EPHX2 P34913 2/20 0.55
ATM Q13315 1/20 0.55
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL15255707 0.85 RAB9A (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL1888991 0.82 MAPT (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL29128652 0.80 RAB9A (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2625557 0.80 MAPT (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL10172936 0.80 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2605852 0.80 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL1430419 0.80 MAPT (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5803752 0.78 MAPT (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL172042 0.78 MAPT (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL171882 0.78 MAPT (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867525-A Dihydrocyclopentaisoquinoline derivatives UCB生物制药有限责任公司 2022-08-05 CN claimed
CN-114867525-A Dihydrocyclopentaisoquinoline derivatives UCB生物制药有限责任公司 2022-08-05 CN disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 US disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
EP-0000035-A1 Alpha-amino acids, compositions and process for preparing said compounds MERCK & CO. INC. (US) 1978-12-20 EP disclosed
US-4116671-A HERBICIDES SHIONOGI & CO., LTD. (JP) 1978-09-26 US disclosed
US-4111680-A HERBICIDAL COMPOSITIONS CONTAINING 3-ISOXAZOLYLUREA DERIVATIVES SHIONOGI & CO., LTD. (JP) 1978-09-05 US disclosed
US-4062861-A HERBICIDE SHIONOGI & CO., LTD. (JA) 1977-12-13 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 (6 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR ALDH1A1 4645/4885RAB9A 1277/4885NPC1 2355/4885
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 ALDH1A1 2749/4885RAB9A 1332/4885NPC1 607/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK ALDH1A1 1744/4885RAB9A 2234/4885NPC1 3537/4885
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK ALDH1A1 4303/4885RAB9A 2119/4885NPC1 1811/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 ALDH1A1 2750/4885RAB9A 1805/4885NPC1 3015/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 ALDH1A1 3457/4885RAB9A 1062/4885NPC1 472/4885

“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.