SCHEMBL17670506

SCHEMBL17670506

Cc1cc(C(=O)O)cc(CNCc2nncn2CCc2cccc(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CASR P41180 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ CD38 P28907 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ PTGER4 P35408 3/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ PTGDR Q13258 2/20 0.34
▸ PDE2A O00408 1/20 0.34

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 0.91 YTHDC1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL19522722 0.86 KDM4C (0.42) KDM4CMEN1HCRTR1KMT2ACASR
SCHEMBL17545039 0.85 EHMT2 (0.36) MEN1KMT2AALDH1A1HDAC1
SCHEMBL17670430 0.81 YTHDC1 (0.32) ALDH1A1
SCHEMBL17544922 0.78 EHMT2 (0.40) ALDH1A1HDAC1
SCHEMBL17683749 0.76 YTHDC1 (0.34) KDM4CKMT2A
SCHEMBL17670358 0.76 MDM2 (0.40) MEN1HCRTR1KMT2AALDH1A1
SCHEMBL17670496 0.76 ALDH1A1 (0.40) KDM4CMEN1KMT2AALDH1A1HDAC1
SCHEMBL17683817 0.75 ALDH1A1 (0.34) MEN1KMT2AALDH1A1HDAC1
SCHEMBL17670332 0.75 ALDH1A1 (0.34) MEN1KMT2AALDH1A1HDAC1

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 3 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

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 KDM4C 22/4885MEN1 3634/4885HCRTR1 3127/4885

“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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