SCHEMBL4241189

SCHEMBL4241189

Cn1c(=O)[nH]c2ccc(C#N)cc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
PGR P06401 9/20 0.49
CASP3 P42574 1/20 0.44
MAOB P27338 3/20 0.44
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3932874 0.87 MAPT (0.61) LMNAMAPTPGRCASP3MAOB
SCHEMBL18358720 0.80 PSMB8 (0.58) PGRL3MBTL1
SCHEMBL16883632 0.80 CYP1A2 (0.55) LMNAMAPTPGRMAOB
SCHEMBL20079379 0.80 PGR (0.65) PGRMAOB
SCHEMBL7220155 0.75 DAO (0.66) LMNAMAPTPGRMAOBNOS1
SCHEMBL2522765 0.75 LMNA (0.58) LMNAMAPTPGRMAOB
SCHEMBL29859942 0.75 LMNA (0.58) LMNAMAPTPGRMAOB
SCHEMBL20338373 0.75 PGR (0.60) PGR
SCHEMBL628219 0.75 PGR (0.54) LMNAMAPTPGRMAOB
SCHEMBL5794772 0.74 POLB (0.47) LMNAMAPTPGRMAOBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 US disclosed
WO-2015103060-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2015-07-09 WO disclosed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO 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 (3 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 LMNA 1240/4885MAPT 1769/4885PGR 4800/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA LMNA 4788/4885MAPT 2228/4885PGR 929/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LMNA 3839/4885MAPT 996/4885PGR 3776/4885

“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.