SCHEMBL785798

SCHEMBL785798

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccc(Cl)c1Cl)CCO2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
BDKRB1 P46663 2/20 0.38
ROCK2 O75116 2/20 0.38
P2RX7 Q99572 3/20 0.37
RIPK1 Q13546 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL784150 0.95 BDKRB1 (0.40) F10BDKRB1ROCK2MEN1KMT2A
SCHEMBL784113 0.95 BDKRB1 (0.40) F10BDKRB1ROCK2MEN1KMT2A
SCHEMBL785312 0.91 P2RX7 (0.39) F10ROCK2P2RX7
SCHEMBL785047 0.91 BDKRB1 (0.41) F10BDKRB1ROCK2MEN1KMT2A
SCHEMBL784253 0.89 TRPV1 (0.42) F10MEN1KMT2A
SCHEMBL785292 0.89 F10 (0.39) F10BDKRB1ROCK2P2RX7NPC1
SCHEMBL785705 0.88 TAS1R3 (0.41) F10BDKRB1ROCK2P2RX7RIPK1
SCHEMBL784009 0.88 RORC (0.40) F10BDKRB1ROCK2P2RX7RIPK1
SCHEMBL785887 0.87 TRPV1 (0.42) F10
SCHEMBL27902576 0.87 SMO (0.39) F10ROCK2

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 2 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-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 F10 524/4885BDKRB1 1/4885ROCK2 3995/4885

“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.