SCHEMBL17871986

SCHEMBL17871986

NC(c1ccccc1)c1cccc2cc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.43
KEAP1 Q14145 1/20 0.42
MPO P05164 1/20 0.41
TPO P07202 1/20 0.41
PDPK1 O15530 1/20 0.41
BCHE P06276 2/20 0.36
TRPA1 O75762 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
ADK P55263 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
DPP4 P27487 2/20 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
SCHEMBL28796869 0.79 KEAP1 (0.46) AHRKEAP1PDPK1BCHETRPA1
SCHEMBL3738852 0.77 AHR (0.52) AHRKEAP1PDPK1BCHETRPA1
SCHEMBL29783549 0.77 AHR (0.52) AHRKEAP1PDPK1BCHETRPA1
SCHEMBL17871695 0.72 MPO (0.37) MPOTPODPP4F2AKT2
SCHEMBL9719141 0.72 DPP4 (0.55) DPP4F2
SCHEMBL2611040 0.72 AHR (0.50) AHRKEAP1PDPK1BCHETRPA1
SCHEMBL4851124 0.72 ALDH1A1 (0.52) KEAP1DPP4F2
SCHEMBL3543754 0.72 ALDH1A1 (0.52) KEAP1DPP4F2
SCHEMBL5334267 0.71 BCHE (0.44) AHRKEAP1PDPK1BCHETRPA1
SCHEMBL2305090 0.71 SLC6A4 (0.63)

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 AHR 368/4885KEAP1 1098/4885MPO 3123/4885

“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.