SCHEMBL16006510

SCHEMBL16006510

Cc1ccc(Cl)c2c(NC(=O)C(C)C)nn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK14 Q16539 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
SCHEMBL16006561 0.91 MAPT (0.37) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL16006485 0.91 MAPT (0.37) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL16158003 0.88 ALDH1A1 (0.35) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL17697553 0.86 CASP1 (0.40) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL16006821 0.85 ALDH1A1 (0.50) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL16158002 0.84 ALDH1A1 (0.37) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL19788774 0.84 CASP1 (0.38) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL16006436 0.83 AGPAT2 (0.37) KDM4EMAPTSMN1; SMN2TSHRLMNA
SCHEMBL16158005 0.82 KDM4E (0.45) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL16006422 0.82 ALDH1A1 (0.43) KDM4EMAPTCASP1CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021262990-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 — — US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 — — US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 — — US disclosed
WO-2014134566-A2 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-09-04 — — 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 (3 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-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 KDM4E 4453/4885MAPT 1547/4885CASP1 1229/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KDM4E 4478/4885MAPT 1618/4885CASP1 1194/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KDM4E 4478/4885MAPT 1618/4885CASP1 1194/4885

“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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