SCHEMBL17670492

SCHEMBL17670492

Cc1cc(C(=O)O)cc(CNCc2nnc(Cc3cccs3)n2Cc2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MMP13 P45452 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL17544998 0.91 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL17670366 0.88 MMP13 (0.40) ALDH1A1MAPTMMP13GAA
SCHEMBL17544535 0.85 PDE6D (0.42) TP53MMP13
SCHEMBL17670499 0.84 MMP13 (0.40) MAPTKMT2ATP53MMP13
SCHEMBL17544846 0.84 MMP13 (0.42) ALDH1A1MAPTKMT2AKDM4ETP53
SCHEMBL17544968 0.84 MAPT (0.41) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL17670478 0.84 MMP13 (0.40) MAPTNPSR1TP53MMP13TSHR
SCHEMBL17670353 0.83 MMP13 (0.40) TP53MMP13
SCHEMBL17670345 0.81 MMP13 (0.39) MAPTKMT2ATP53MMP13
SCHEMBL17670483 0.81 MMP13 (0.39) MAPTKMT2ALMNATP53MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 ALDH1A1 802/4885MAPT 4137/4885KMT2A 34/4885

“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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