SCHEMBL7809681

SCHEMBL7809681

Cc1cc(C)cc(NC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
RAPGEF4 Q8WZA2 1/20 0.42
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
THRB P10828 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
KCNH3 Q9ULD8 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL18998887 0.94 TDP1 (0.46) TDP1RAPGEF4ALDH1A1LMNATSHR
SCHEMBL21283087 0.84 TDP1 (0.38) TDP1RAPGEF4ALDH1A1LMNATSHR
SCHEMBL801749 0.84 TDP1 (0.38) TDP1RAPGEF4ALDH1A1LMNATSHR
SCHEMBL12369335 0.84 RAPGEF4 (0.44) TDP1RAPGEF4ALDH1A1LMNATSHR
SCHEMBL12369336 0.84 RAPGEF4 (0.44) TDP1RAPGEF4ALDH1A1LMNATSHR
SCHEMBL10024341 0.82 TDP1 (0.55) TDP1ALDH1A1LMNATSHRTHRB
SCHEMBL11408555 0.80 RAPGEF4 (0.39) TDP1RAPGEF4ALDH1A1LMNATSHR
SCHEMBL12128223 0.79 PIK3CB (0.36) TDP1ALDH1A1LMNATHRBHTT
SCHEMBL11404383 0.78 TDP1 (0.46) TDP1ALDH1A1LMNATSHRTHRB
SCHEMBL12128222 0.76 GAA (0.38) TDP1ALDH1A1KMT2AHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-11130764-B2 Analogs of vincamine and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-09-28 US disclosed
WO-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 WO disclosed
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-24 US disclosed
EP-3245213-B1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL MYERS SQUIBB CO (US) 2020-03-04 EP disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-10472315-B2 Inhibitors of methionine aminopeptidases and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2019-11-12 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 WO disclosed
EP-0690055-B1 Stereoselective process for making endo-tropanamine and like compounds LILLY CO ELI (US) 2001-11-14 EP disclosed
US-5625065-A Stereoselective process for making endo-tropanamine and like compounds ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed
EP-0690055-A1 Stereoselective process for making endo-tropanamine and like compounds ELI LILLY AND COMPANY (US) 1996-01-03 EP disclosed
US-4196142-A 2-Chloro-n-isopropyl-3,5-disubstituted or 3,4,5-trisubstitutes lower alkyl acetanilides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1980-04-01 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 (9 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-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TDP1 330/4885RAPGEF4 4132/4885ALDH1A1 4827/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TDP1 330/4885RAPGEF4 4132/4885ALDH1A1 4827/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TDP1 330/4885RAPGEF4 4132/4885ALDH1A1 4827/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 TDP1 1939/4885RAPGEF4 4375/4885ALDH1A1 1180/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TDP1 330/4885RAPGEF4 4132/4885ALDH1A1 4827/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TDP1 330/4885RAPGEF4 4132/4885ALDH1A1 4827/4885
US-10472315-B2 Inhibitors of methionine aminopeptidases and methods of treating disorders METAP1, METAP2, ENPEP TDP1 2260/4885RAPGEF4 4734/4885ALDH1A1 1430/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 TDP1 792/4885RAPGEF4 3524/4885ALDH1A1 4199/4885
US-11130764-B2 Analogs of vincamine and uses thereof GLS, GLS2, VAT1 TDP1 1393/4885RAPGEF4 891/4885ALDH1A1 76/4885

“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.