SCHEMBL3199392

SCHEMBL3199392

ClCc1cccc(-n2ccnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.63
CYP3A4 P08684 2/20 0.55
CYP19A1 P11511 2/20 0.50
CYP2A6 P11509 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
NOTUM Q6P988 1/20 0.47
GLS O94925 2/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ENPP2 Q13822 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL9454360 0.87 IDO1 (0.52) IDO1CYP3A4CYP19A1CYP2A6CYP11B1
SCHEMBL9454350 0.87 IDO1 (0.52) IDO1CYP3A4CYP19A1CYP2A6CYP11B1
SCHEMBL4485099 0.83 IDO1 (0.58) IDO1CYP3A4CYP19A1CYP2A6CYP11B1
SCHEMBL29471945 0.83 IDO1 (0.58) IDO1CYP3A4CYP19A1CYP2A6CYP11B1
SCHEMBL15750592 0.83 IDO1 (0.58) IDO1CYP3A4CYP19A1CYP2A6CYP11B1
SCHEMBL3211483 0.83 IDO1 (0.58) IDO1CYP3A4CYP19A1CYP2A6CYP11B1
SCHEMBL14489499 0.82 IDO1 (0.75) IDO1CYP3A4CYP19A1CYP2A6CYP11B1
SCHEMBL19920014 0.81 IDO1 (0.59) IDO1CYP3A4CYP19A1CYP2A6CYP11B1
SCHEMBL27954179 0.81 IDO1 (0.55) IDO1CYP3A4CYP19A1CYP2A6CYP11B1
SCHEMBL4475935 0.81 IDO1 (0.55) IDO1CYP3A4CYP19A1CYP2A6CYP11B1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101151246-B 1-benzylindole-2-carboxamide derivatives ORGANON NV 2011-04-13 CN disclosed
US-7671080-B2 1-benzylindole-2-carboxamide derivatives N.V. ORGANON (NL) 2010-03-02 US disclosed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 US disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP disclosed
CN-101151246-A 1-benzylindole-2-carboxamide derivatives ORGANON NV (NL) 2008-03-26 CN disclosed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 WO disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0395768-A1 SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-11-07 EP disclosed
CN-1042910-A The allylamine derivatives that replaces, their production method and application thereof BANYU PHARMA CO LTD (JP) 1990-06-13 CN 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 (1 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-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives CNR2, CNR1, HTR2C IDO1 42/4885CYP3A4 327/4885CYP19A1 858/4885

“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.