SCHEMBL785539

SCHEMBL785539

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cnccc1C(F)(F)F)CCO2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.37
SMO Q99835 3/20 0.36
RBP4 P02753 1/20 0.36
HSD17B2 P37059 1/20 0.36
KDM4C Q9H3R0 3/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
KDM6B O15054 1/20 0.35
F10 P00742 4/20 0.35
MCHR1 Q99705 1/20 0.34
RAB9A P51151 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33

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
SCHEMBL27902576 0.93 SMO (0.39) ROCK2SMOHSD17B2F10
SCHEMBL785312 0.89 P2RX7 (0.39) ROCK2SMOHSD17B2F10
SCHEMBL785733 0.87 WDR5 (0.40) ROCK2SMORBP4NPC1POLB
SCHEMBL784755 0.87 WDR5 (0.40) ROCK2SMORBP4NPC1POLB
SCHEMBL785833 0.86 JAK2 (0.40) SMOF10MCHR1
SCHEMBL784391 0.86 ROCK2 (0.38) ROCK2KDM4CNPC1KDM6BF10
SCHEMBL785316 0.86 CTSS (0.42) SMORBP4KDM4CNPC1POLB
SCHEMBL784009 0.85 RORC (0.40) ROCK2F10
SCHEMBL785130 0.85 RBP4 (0.37) ROCK2SMORBP4KDM4CNPC1
SCHEMBL785292 0.85 F10 (0.39) ROCK2NPC1F10RAB9A

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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ROCK2 3995/4885SMO 4034/4885RBP4 1548/4885

“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.