SCHEMBL17871939

SCHEMBL17871939

O=C(O)Cc1ccc2[nH]nc(I)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.58
▸ HPGD P15428 4/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ PPARG P37231 5/20 0.45
▸ TSHR P16473 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL22914248 0.88 KDM4E (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL28000410 0.83 ALDH1A1 (0.60) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL13375276 0.80 MAP2K4 (0.49) NTRK1
SCHEMBL25229706 0.79 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL27945216 0.78 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL28000229 0.78 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL20421204 0.78 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL20421209 0.77 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL28686154 0.76 NTRK1 (0.45) NTRK1GABRA1GABRB2HAO1
SCHEMBL28133525 0.76 MAP2K4 (0.36) KDM4EHPGDHSD17B10ALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 — — EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 — — US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 — — US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 — — EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 — — WO disclosed
CN-103189377-A N1/n2-lactam acetyl-coa carboxylase inhibitors PFIZER 2013-07-03 — — CN disclosed
CN-101115724-A Inhibitors of checkpoint kinases MERCK & CO INC (US) 2008-01-30 — — CN 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA KDM4E 1902/4885HPGD 1011/4885HSD17B10 753/4885

“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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