SCHEMBL790602

SCHEMBL790602

Cc1cc(N2CCC(CNC(=O)c3ccc4c(c3)C(NC(=O)CC(C)C(C)C)CC4)CC2)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
WDR5 P61964 6/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ROCK2 O75116 1/20 0.35
NAMPT P43490 2/20 0.34
MAPK14 Q16539 2/20 0.34
CETP P11597 2/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
TAOK3 Q9H2K8 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
SCHEMBL785567 0.85 TAF1 (0.40) WDR5ALDH1A1HPGD
SCHEMBL785285 0.78 TAF1 (0.41) WDR5ALDH1A1HPGD
SCHEMBL784191 0.75 BDKRB1 (0.42) WDR5ALDH1A1
SCHEMBL784371 0.74 TAF1 (0.40) WDR5ALDH1A1TAOK3
SCHEMBL785851 0.74 F10 (0.42) F10WDR5
SCHEMBL785297 0.73 TAF1 (0.42) WDR5ALDH1A1TSHR
SCHEMBL784442 0.73 PDE4A (0.41) WDR5ALDH1A1TAOK3
SCHEMBL784946 0.73 PDE4A (0.41) WDR5ALDH1A1TAOK3
SCHEMBL785476 0.72 TAF1 (0.41) WDR5ALDH1A1TSHRKCNH2
SCHEMBL784868 0.72 F10 (0.36) F10CKS1BSKP1SKP2MAPK14

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-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 F10 524/4885WDR5 2611/4885CKS1B 580/4885

“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.