SCHEMBL10054035

SCHEMBL10054035

Cc1ccc(Oc2ccccc2C#N)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PIN1 Q13526 2/20 0.43
SCN9A Q15858 2/20 0.42
GCK P35557 1/20 0.41
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 2/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL10022361 0.81 MAP4K4 (0.45) MAP4K4POLBGAAPIN1GCK
SCHEMBL30997483 0.78 KMT2A (0.63) MAP4K4POLBGAASCN9AMAPK1
SCHEMBL7108791 0.77 MAP4K4 (0.52) MAP4K4POLBGAAPIN1GCK
SCHEMBL9889490 0.76 SLC22A12 (0.41) SCN9AAR
SCHEMBL9889489 0.76 XDH (0.42) SCN9AAR
SCHEMBL18609606 0.76 HTT (0.51) GAAALDH1A1NPC1RAB9A
SCHEMBL17354621 0.76 AR (0.68) ALDH1A1MEN1KMT2AAR
SCHEMBL8460938 0.76 KMT2A (0.66) MAP4K4POLBGAAPIN1KEAP1
SCHEMBL13875913 0.76 NPC1 (0.43) MAP4K4POLBGAAPIN1ALDH1A1
SCHEMBL29681639 0.75 GAA (0.74) POLBGAATSHRAR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA MAP4K4 137/4885POLB 2716/4885GAA 981/4885

“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.