SCHEMBL17871869

SCHEMBL17871869

NC(c1ccccc1)c1ccc(O)cc1N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ NCF1 P14598 2/20 0.38
▸ NR1I2 O75469 2/20 0.37
▸ SMARCA2 P51531 2/20 0.37
▸ SMARCA4 P51532 2/20 0.37
▸ PBRM1 Q86U86 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ KCNA5 P22460 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ KCNQ2 O43526 3/20 0.36
▸ P4HB P07237 1/20 0.36
▸ GAA P10253 4/20 0.35
▸ KDM4E B2RXH2 2/20 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
SCHEMBL17871807 0.83 NCF1 (0.40) KEAP1NCF1CYP1A2CYP3A4CYP2D6
SCHEMBL17871709 0.83 NCF1 (0.40) KEAP1NCF1CYP1A2CYP3A4CYP2D6
SCHEMBL7888633 0.82 KEAP1 (0.50) KEAP1NPC1NCF1CYP1A2CYP3A4
SCHEMBL5795215 0.82 KEAP1 (0.50) KEAP1NPC1NCF1CYP1A2CYP3A4
SCHEMBL17871743 0.81 HPGD (0.40) KEAP1NCF1KCNQ2GAAL3MBTL1
SCHEMBL17871808 0.81 ALDH1A1 (0.45) NCF1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17871802 0.81 KMT2A (0.39) KEAP1NPC1NCF1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL17871763 0.80 KEAP1 (0.49) KEAP1NPC1NCF1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL17871689 0.80 ALDH1A1 (0.48) KEAP1KCNQ2GAAALDH1A1HTT
SCHEMBL7888666 0.80 KEAP1 (0.47) KEAP1NPC1NCF1CYP1A2CYP3A4

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 5 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

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 KEAP1 1098/4885TYR 3402/4885NPC1 1313/4885

“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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