SCHEMBL307278

SCHEMBL307278

N#Cc1ccc(NC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.62
EPHX1 P07099 2/20 0.61
EPHX2 P34913 2/20 0.61
BLM P54132 1/20 0.61
LMNA P02545 4/20 0.54
HTT P42858 3/20 0.54
NLRP3 Q96P20 2/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
KMT2A Q03164 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
PDE3A Q14432 1/20 0.54
MAPT P10636 2/20 0.53
TSHR P16473 1/20 0.53
P2RY1 P47900 1/20 0.53

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
SCHEMBL16722682 0.88 IDO1 (0.60) IDO1EPHX1EPHX2BLMLMNA
SCHEMBL22125186 0.87 SMARCA2 (0.61) IDO1EPHX1EPHX2BLMLMNA
SCHEMBL14293692 0.87 IMPDH2 (0.69) IDO1BLMLMNAMEN1NPC1
SCHEMBL16728601 0.86 ALDH1A1 (0.63) IDO1BLMLMNAALDH1A1GAA
Cloguanamil SCHEMBL2110741 0.85 IDO1 (0.55) IDO1EPHX1EPHX2BLMLMNA
SCHEMBL9188530 0.85 MEN1 (0.67) BLMLMNAHTTMEN1NPC1
SCHEMBL16841762 0.84 IDO1 (0.50) IDO1EPHX1EPHX2BLMLMNA
SCHEMBL19404007 0.84 KDR (0.62) LMNAHTTMEN1KMT2AMAPT
SCHEMBL18677472 0.83 ALDH1A1 (0.57) IDO1BLMLMNAHTTMEN1
SCHEMBL12354889 0.82 ALDH1A1 (0.56) IDO1BLMLMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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 (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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 IDO1 2780/4885EPHX1 741/4885EPHX2 1268/4885

“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.