SCHEMBL10153197

SCHEMBL10153197

Cc1ccccc1-c1nc2c(Br)cccc2n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
GRM2 Q14416 1/20 0.47
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TNF P01375 1/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
PDE6D O43924 1/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
ESR1 P03372 1/20 0.42
FBP1 P09467 1/20 0.42
CASR P41180 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1701199 0.82 TNF (0.60) PPARGGRM2KDM4ETNFTP53
SCHEMBL29832458 0.81 TLR8 (0.49) PPARGGRM2KDM4ETP53ALDH1A1
SCHEMBL26109185 0.81 TLR8 (0.49) PPARGGRM2KDM4ETP53ALDH1A1
SCHEMBL29411973 0.79 PPARG (0.50) PPARGFBP1CASR
SCHEMBL28479697 0.79 PPARG (0.50) PPARGFBP1CASR
SCHEMBL13770855 0.79 ALDH1A1 (0.68) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL29829358 0.76 ALDH1A1 (0.63) PPARGKDM4ESMN1; SMN2TNFTP53
SCHEMBL29830051 0.73 TP53 (0.60) PPARGKDM4ESMN1; SMN2TNFTP53
SCHEMBL5201635 0.72 ESR1 (0.46) PPARGKDM4ESMN1; SMN2TNFTP53
SCHEMBL29829695 0.72 ALDH1A1 (0.54) PPARGKDM4ESMN1; SMN2TNFTP53

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-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
US-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 US disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 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-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP PPARG 573/4885GRM2 870/4885KDM4E 1810/4885

“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.