SCHEMBL10058113

SCHEMBL10058113

C=CC1=C(C=C)C(=O)C(Nc2ccc(CNc3ccccn3)cc2)=C(Cl)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ CXCR4 P61073 1/20 0.51
▸ FABP1 P07148 1/20 0.47
▸ FABP6 P51161 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TCF4 P15884 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ PSMB2 P49721 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 2/20 0.43

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
SCHEMBL15031163 0.84 ALDH1A1 (0.64) KDM4ECXCR4FABP1FABP6HPGD
SCHEMBL10079395 0.80 ALDH1A1 (0.72) KDM4EHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL18398738 0.72 ALDH1A1 (0.55) KDM4ECXCR4FABP1FABP6HPGD
SCHEMBL29351380 0.71 CXCR4 (1.00) KDM4ECXCR4FABP1FABP6HPGD
SCHEMBL589266 0.71 CXCR4 (1.00) KDM4ECXCR4FABP1FABP6HPGD
SCHEMBL29580040 0.70 KDM4E (1.00) KDM4ECXCR4FABP1FABP6HPGD
SCHEMBL14980562 0.70 KDM4E (1.00) KDM4ECXCR4FABP1FABP6HPGD
SCHEMBL15293591 0.70 CXCR4 (0.60) KDM4ECXCR4FABP1FABP6NPC1
SCHEMBL22454178 0.68 CXCR4 (0.77) KDM4ECXCR4FABP1FABP6HPGD
SCHEMBL10055030 0.67 CXCR4 (0.89) KDM4ECXCR4FABP1FABP6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-06-07 — — 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-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY PSMB4, PSME4, PSMB1 KDM4E 885/4885CXCR4 4716/4885FABP1 4596/4885

“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.

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