SCHEMBL17670424

SCHEMBL17670424

Cc1cc(C(=O)O)cc(CNCc2ncc(CCCc3ccccc3)n2Cc2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.43
▸ AGTR2 P50052 2/20 0.38
▸ BRS3 P32247 2/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL17670339 0.95 AGTR1 (0.42) AGTR1AGTR2BRS3ENPP2CNR1
SCHEMBL17549892 0.88 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL17544469 0.87 AGTR1 (0.41) AGTR1AGTR2BRS3ENPP2
SCHEMBL17670495 0.85 AGTR1 (0.41) AGTR1AGTR2BRS3MEN1KMT2A
SCHEMBL17670462 0.84 AGTR1 (0.40) AGTR1AGTR2BRS3
SCHEMBL17670478 0.84 MMP13 (0.40) AGTR1AGTR2ENPP2CNR1CNR2
SCHEMBL17670473 0.83 AGTR1 (0.41) AGTR1AGTR2ENPP2CNR2
SCHEMBL17549916 0.83 MMP13 (0.39) AGTR1AGTR2ENPP2CNR1CNR2
SCHEMBL17545097 0.82 MMP13 (0.37) AGTR1AGTR2MEN1KMT2A
SCHEMBL17670336 0.82 MMP13 (0.37) AGTR1AGTR2MEN1KMT2A

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 2794/4885AGTR2 3216/4885BRS3 4064/4885

“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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