SCHEMBL784251

SCHEMBL784251

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3ccccc3C)CC4)CC2)nc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
WDR5 P61964 8/20 0.40
ITK Q08881 1/20 0.40
GBA1 P04062 1/20 0.39
SPR P35270 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE2A O00408 1/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
CHRM4 P08173 1/20 0.36
CTSS P25774 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL785424 0.92 TAF1 (0.40) TAF1CECR2BRD9WDR5GBA1
SCHEMBL784161 0.92 ALDH1A1 (0.41) TAF1CECR2BRD9WDR5GBA1
SCHEMBL784222 0.91 WDR5 (0.42) TAF1CECR2BRD9WDR5GBA1
SCHEMBL785520 0.88 WDR5 (0.39) TAF1CECR2BRD9WDR5SPR
SCHEMBL783985 0.88 ALDH1A1 (0.48) TAF1CECR2BRD9WDR5GBA1
SCHEMBL785506 0.88 TAF1 (0.38) TAF1CECR2BRD9WDR5SPR
SCHEMBL785428 0.87 WDR5 (0.40) TAF1CECR2BRD9WDR5GBA1
SCHEMBL785486 0.86 TAF1 (0.44) TAF1CECR2BRD9ITKGBA1
SCHEMBL785617 0.86 WDR5 (0.41) TAF1CECR2BRD9WDR5SPR
SCHEMBL784824 0.86 WDR5 (0.40) TAF1CECR2BRD9WDR5SPR

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 10 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 TAF1 2144/4885CECR2 888/4885BRD9 243/4885

“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.