SCHEMBL17670430

SCHEMBL17670430

O=C(O)c1cc(CO)nc(CNCc2nncn2CCc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ TPMT P51580 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL17670362 0.89 YTHDC1 (0.34) YTHDC1TPMTALDH1A1MMP13
SCHEMBL17545013 0.82 EHMT2 (0.37) ALDH1A1
SCHEMBL17670506 0.81 KDM4C (0.40) ALDH1A1
SCHEMBL17545011 0.79 MMP13 (0.37) MMP13
SCHEMBL17683749 0.74 YTHDC1 (0.34) YTHDC1TPMT
SCHEMBL17545039 0.72 EHMT2 (0.36) ALDH1A1MMP13
SCHEMBL17670351 0.71 MMP13 (0.38) MMP13
SCHEMBL17544815 0.69 HSP90AA1 (0.39) YTHDC1
SCHEMBL17544589 0.67 PPARA (0.38) MMP13
SCHEMBL17544811 0.67 EHMT2 (0.41) —

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 YTHDC1 920/4885NOTUM 3567/4885TPMT 460/4885

“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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