SCHEMBL307913

SCHEMBL307913

COc1ccc(C(=O)N(C)Cc2cccc(C(=O)O)c2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
TPMT P51580 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
MRGPRX4 Q96LA9 3/20 0.54
ACHE P22303 2/20 0.54
BCHE P06276 1/20 0.54
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
HSD17B2 P37059 2/20 0.52
TAS2R14 Q9NYV8 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL307148 0.89 HTT (0.58) HTTMEN1KMT2AACHEBCHE
SCHEMBL9416623 0.81 HTT (0.61) HTTMEN1KMT2AMRGPRX4ACHE
SCHEMBL9416662 0.81 HTT (0.61) HTTMEN1KMT2AMRGPRX4ACHE
SCHEMBL13229125 0.80 KMT2A (0.90) HTTMEN1KMT2AHSD17B2HPGD
SCHEMBL14198788 0.78 HSP90AA1 (0.56) HTTMEN1KMT2AACHEBCHE
SCHEMBL307992 0.77 ACHE (0.54) HTTKMT2AACHEBCHETSHR
SCHEMBL20794226 0.77 MEP1B (0.54) MEN1KMT2AMRGPRX4MEP1B
SCHEMBL4836068 0.76 MEN1 (0.63) MEN1KMT2ACA12CA9HSD17B2
SCHEMBL305398 0.76 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL9416583 0.76 HSD17B2 (0.74) HTTMEN1KMT2AHSD17B2POLB

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-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 HTT 3609/4885MEN1 1736/4885KMT2A 2067/4885

“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.