SCHEMBL784875

SCHEMBL784875

COc1ccc(Cl)cc1NC(=O)NC1CCCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.40
F10 P00742 4/20 0.39
RBP4 P02753 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL785726 0.91 TAS1R3 (0.41) KMT2AMEN1F10MAPT
SCHEMBL785701 0.90 TAS1R3 (0.41) KMT2AMEN1ATMNPC1F10
SCHEMBL785666 0.87 TRPV1 (0.44) F10
SCHEMBL785695 0.87 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1GAAF10
SCHEMBL785659 0.87 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1GAAF10
SCHEMBL784882 0.87 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1GAAF10
SCHEMBL785862 0.86 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1GAAF10
SCHEMBL785511 0.86 TAS1R3 (0.52) KMT2AALDH1A1GAAATMMAPT
SCHEMBL785926 0.86 TRPV1 (0.42) KMT2AMEN1ALDH1A1NPC1F10
SCHEMBL785738 0.85 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1NPC1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
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 KMT2A 2222/4885MEN1 2563/4885ALDH1A1 1267/4885

“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.