SCHEMBL5334892

SCHEMBL5334892

COC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.52
CASP1 P29466 6/20 0.52
HSD17B10 Q99714 6/20 0.52
CASP7 P55210 5/20 0.52
USP2 O75604 3/20 0.52
POLB P06746 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 10/20 0.49
ALDH1A1 P00352 9/20 0.49
GAA P10253 6/20 0.49
NPSR1 Q6W5P4 3/20 0.49
GLA P06280 2/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL30938447 1.00 KDM4E (0.52) KDM4ECASP1HSD17B10CASP7USP2
SCHEMBL30938410 1.00 KDM4E (0.52) KDM4ECASP1HSD17B10CASP7USP2
SCHEMBL5309384 0.92 KDM4E (0.55) KDM4ECASP1HSD17B10CASP7USP2
SCHEMBL31634752 0.92 KDM4E (0.55) KDM4ECASP1HSD17B10CASP7USP2
SCHEMBL30938466 0.92 KDM4E (0.55) KDM4ECASP1HSD17B10CASP7USP2
SCHEMBL31634797 0.92 KDM4E (0.55) KDM4ECASP1HSD17B10CASP7USP2
SCHEMBL30938417 0.91 KDM4E (0.52) KDM4ECASP1HSD17B10CASP7USP2
SCHEMBL30938440 0.91 KDM4E (0.52) KDM4ECASP1HSD17B10CASP7USP2
SCHEMBL31634776 0.91 KDM4E (0.52) KDM4ECASP1HSD17B10CASP7USP2
SCHEMBL5369491 0.91 KDM4E (0.52) KDM4ECASP1HSD17B10CASP7USP2

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-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 KDM4E 4033/4885CASP1 951/4885HSD17B10 3999/4885

“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.