SCHEMBL17670339

SCHEMBL17670339

Cc1cc(C(=O)O)cc(CNCc2ncc(CCc3ccccc3)n2Cc2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.42
▸ BRS3 P32247 2/20 0.40
▸ ENPP2 Q13822 1/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ USP2 O75604 3/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ BRCA1 P38398 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ AGTR2 P50052 2/20 0.37

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
SCHEMBL17670424 0.95 AGTR1 (0.43) AGTR1BRS3ENPP2MEN1KMT2A
SCHEMBL17549892 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL17544469 0.89 AGTR1 (0.41) AGTR1BRS3ENPP2AGTR2
SCHEMBL17670495 0.87 AGTR1 (0.41) AGTR1BRS3MEN1KMT2AAGTR2
SCHEMBL17670478 0.87 MMP13 (0.40) AGTR1ENPP2CNR1CNR2AGTR2
SCHEMBL17670462 0.85 AGTR1 (0.40) AGTR1BRS3AGTR2
SCHEMBL17670473 0.85 AGTR1 (0.41) AGTR1ENPP2CNR2AGTR2
SCHEMBL17549916 0.84 MMP13 (0.39) AGTR1ENPP2LMNACNR1CNR2
SCHEMBL17670336 0.83 MMP13 (0.37) AGTR1MEN1KMT2AAGTR2
SCHEMBL17545097 0.83 MMP13 (0.37) AGTR1MEN1KMT2AAGTR2

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 AGTR1 2794/4885BRS3 4064/4885ENPP2 3138/4885

“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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