SCHEMBL320697

SCHEMBL320697

N#Cc1ccc(NC(=O)COc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
GAA P10253 1/20 0.60
HIF1A Q16665 3/20 0.59
EPAS1 Q99814 3/20 0.59
MEN1 O00255 3/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
ROCK2 O75116 2/20 0.53
HTT P42858 1/20 0.53
MLYCD O95822 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
SCHEMBL2953316 0.90 HIF1A (0.73) KMT2AGAAHIF1AEPAS1MEN1
SCHEMBL7477127 0.89 KMT2A (0.64) KMT2AGAAHIF1AEPAS1MEN1
SCHEMBL321631 0.89 HIF1A (0.65) KMT2AGAAHIF1AEPAS1MEN1
SCHEMBL321736 0.88 KMT2A (0.58) KMT2AGAAHIF1AEPAS1MEN1
SCHEMBL321393 0.88 SMN1; SMN2 (0.61) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7477445 0.79 F10 (0.71) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL31503975 0.78 LMNA (0.78) KMT2AGAAMEN1LMNAMAPT
SCHEMBL25214512 0.78 SMPD1 (0.74) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2959279 0.78 HIF1A (0.82) KMT2AHIF1AEPAS1MEN1MAPT
SCHEMBL30392119 0.78 SMPD1 (0.74) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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-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
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 3281/4885GAA 855/4885HIF1A 2601/4885

“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.