SCHEMBL321631

SCHEMBL321631

N#Cc1cccc(NC(=O)COc2cccc(C(=O)O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.65
EPAS1 Q99814 4/20 0.65
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
RAB9A P51151 3/20 0.61
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.58
KCNH2 Q12809 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL320697 0.89 KMT2A (0.60) HIF1AEPAS1GAAMAPTNPC1
SCHEMBL2953316 0.89 HIF1A (0.73) HIF1AEPAS1GAAMAPTNPC1
SCHEMBL321291 0.88 ALDH1A1 (0.63) HIF1AEPAS1GAAMAPTNPC1
SCHEMBL7477127 0.88 KMT2A (0.64) HIF1AEPAS1GAAMAPTNPC1
SCHEMBL6809507 0.85 SMN1; SMN2 (0.73) GAAMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL6809487 0.85 GAA (0.62) GAAMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL2959279 0.82 HIF1A (0.82) HIF1AEPAS1MAPTNPC1SMN1; SMN2
SCHEMBL2958442 0.81 HIF1A (0.73) HIF1AEPAS1MAPTNPC1SMN1; SMN2
SCHEMBL2950754 0.81 HIF1A (0.77) HIF1AEPAS1MAPTNPC1SMN1; SMN2
SCHEMBL2961128 0.81 HIF1A (0.69) HIF1AEPAS1MAPTNPC1SMN1; 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 9 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
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
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 HIF1A 2601/4885EPAS1 1654/4885GAA 855/4885

“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.