SCHEMBL785428

SCHEMBL785428

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3cccc(C(F)(F)F)c3Cl)CC4)CC2)nc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.40
TAF1 P21675 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
P2RX7 Q99572 10/20 0.36
EPHX2 P34913 2/20 0.35
SLC6A9 P48067 1/20 0.35
CYP2C9 P11712 1/20 0.35
GBA1 P04062 1/20 0.35
RBP4 P02753 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL784222 0.93 WDR5 (0.42) WDR5TAF1CECR2BRD9EPHX2
SCHEMBL785520 0.92 WDR5 (0.39) WDR5TAF1CECR2BRD9ALDH1A1
SCHEMBL784666 0.91 WDR5 (0.41) WDR5P2RX7EPHX2SLC6A9RBP4
SCHEMBL784161 0.89 ALDH1A1 (0.41) WDR5TAF1CECR2BRD9GBA1
SCHEMBL785424 0.87 TAF1 (0.40) WDR5TAF1CECR2BRD9GBA1
SCHEMBL784251 0.87 TAF1 (0.41) WDR5TAF1CECR2BRD9GBA1
SCHEMBL785506 0.87 TAF1 (0.38) WDR5TAF1CECR2BRD9RBP4
SCHEMBL785045 0.87 CRHR1 (0.40) WDR5TAF1CECR2BRD9
SCHEMBL785617 0.86 WDR5 (0.41) WDR5TAF1CECR2BRD9
SCHEMBL784824 0.86 WDR5 (0.40) WDR5TAF1CECR2BRD9

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 8 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 WDR5 2611/4885TAF1 2144/4885CECR2 888/4885

“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.