SCHEMBL17670498

SCHEMBL17670498

COc1ccc(CCn2ccnc2CNCc2cc(C(=O)O)cc(C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 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
SCHEMBL17670496 0.90 ALDH1A1 (0.40) HSP90B1ALDH1A1MEN1KMT2A
SCHEMBL17670343 0.89 L3MBTL1 (0.41) KDM4EALDH1A1
SCHEMBL17544777 0.84 HSP90AA1 (0.36) HSP90B1MEN1KMT2A
SCHEMBL17683749 0.84 YTHDC1 (0.34) HSP90B1KMT2A
SCHEMBL19522722 0.83 KDM4C (0.42) HSP90B1MEN1KMT2A
SCHEMBL17670467 0.80 ADORA2A (0.34) ALDH1A1MEN1KMT2A
SCHEMBL17549883 0.79 HSP90AA1 (0.44) HSP90B1MMP13
SCHEMBL17670471 0.79 P2RY14 (0.38) HSP90B1MEN1KMT2A
SCHEMBL17544545 0.79 HSP90B1 (0.42) HSP90B1KDM4EALDH1A1MAPT
SCHEMBL17549907 0.78 BRD4 (0.34) MEN1KMT2A

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 HSP90B1 2301/4885KDM4E 8/4885ALDH1A1 802/4885

“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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