SCHEMBL17670358

SCHEMBL17670358

Cc1cc(C(=O)O)cc(CNCc2nnc(C)n2-c2cccc(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.36
▸ SETDB1 Q15047 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35

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
SCHEMBL17670506 0.76 KDM4C (0.40) ALDH1A1KMT2AMEN1HCRTR1
SCHEMBL17670503 0.74 PPARG (0.43) —
SCHEMBL17544846 0.74 MMP13 (0.42) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL19522722 0.74 KDM4C (0.42) KMT2AMEN1HCRTR1
SCHEMBL17670429 0.69 EHMT2 (0.41) ALDH1A1KMT2AMEN1LMNA
SCHEMBL17544535 0.69 PDE6D (0.42) —
SCHEMBL17670366 0.69 MMP13 (0.40) ALDH1A1HTT
SCHEMBL17670478 0.69 MMP13 (0.40) TSHR
SCHEMBL17670362 0.69 YTHDC1 (0.34) ALDH1A1KMT2AMEN1
SCHEMBL17680453 0.69 TP53 (0.39) ALDH1A1LMNA

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 MDM2 438/4885NOTUM 3567/4885ALDH1A1 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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