SCHEMBL320847

SCHEMBL320847

COC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ROCK2 O75116 1/20 0.54
PLAU P00749 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL320474 1.00 KMT2A (0.55) KMT2AMEN1RXFP1ROCK2PLAU
SCHEMBL321921 0.89 KMT2A (0.60) KMT2AMEN1RXFP1ROCK2ALDH1A1
SCHEMBL321392 0.89 KMT2A (0.60) KMT2AMEN1RXFP1ROCK2ALDH1A1
SCHEMBL3898622 0.88 KMT2A (0.55) KMT2AMEN1RXFP1ROCK2ALDH1A1
SCHEMBL10069814 0.85 KMT2A (0.57) KMT2AMEN1RXFP1PLAUALDH1A1
SCHEMBL11034748 0.81 KMT2A (0.61) KMT2AMEN1RXFP1ALDH1A1TSHR
SCHEMBL10822517 0.80 LMNA (0.64) KMT2AMEN1RXFP1ALDH1A1POLB
SCHEMBL321736 0.79 KMT2A (0.58) KMT2AMEN1ROCK2PLAUALDH1A1
SCHEMBL10822767 0.78 ALDH1A1 (0.74) KMT2AMEN1ALDH1A1TSHRTP53
SCHEMBL10823098 0.78 MEN1 (0.59) KMT2AMEN1RXFP1ALDH1A1TSHR

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 1274/4885RXFP1 531/4885

“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.