SCHEMBL321736

SCHEMBL321736

COC(=O)c1cccc(OCC(=O)Nc2ccc(C#N)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 3/20 0.58
POLB P06746 1/20 0.58
GAA P10253 2/20 0.57
MDH1 P40925 3/20 0.55
MDH2 P40926 1/20 0.54
MAPT P10636 1/20 0.54
ROCK2 O75116 1/20 0.54
PLAU P00749 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 1/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52

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
SCHEMBL321291 0.89 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL320475 0.88 MAPT (0.67) KMT2AMEN1ALDH1A1POLBMDH1
SCHEMBL320697 0.88 KMT2A (0.60) KMT2AMEN1GAAMAPTROCK2
SCHEMBL25196508 0.80 SMPD1 (0.73) KMT2AMEN1
SCHEMBL7477127 0.80 KMT2A (0.64) KMT2AMEN1GAAMAPTNPC1
SCHEMBL2833331 0.79 MAPT (0.75) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL320474 0.79 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBROCK2
SCHEMBL320847 0.79 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBROCK2
SCHEMBL2953316 0.78 HIF1A (0.73) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL321631 0.77 HIF1A (0.65) KMT2AMEN1ALDH1A1GAAMAPT

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
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
EP-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA KMT2A 3281/4885MEN1 1274/4885ALDH1A1 2643/4885

“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.