SCHEMBL22347246

SCHEMBL22347246

Cn1nc(C(C)(C)C)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
MAPK14 Q16539 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
AMY1A P0DUB6 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PGR P06401 1/20 0.42
DDR2 Q16832 1/20 0.42
GAA P10253 1/20 0.42
IDO1 P14902 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL20866275 0.77 MAPK14 (0.48) ALDH1A1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL24259133 0.77 KEAP1 (0.53) KEAP1NFE2L2ALDH1A1PKML3MBTL1
SCHEMBL22353993 0.77 MAPK14 (0.40) MAPK14MAPTDDR2
SCHEMBL27088364 0.74 KEAP1 (0.49) KEAP1NFE2L2ALDH1A1PKML3MBTL1
SCHEMBL29487816 0.74 LMNA (0.46) KEAP1NFE2L2ALDH1A1PKML3MBTL1
SCHEMBL13234497 0.73 MAPK14 (0.69) ALDH1A1MAPK14LMNAMAPTNPC1
SCHEMBL25252232 0.71 IDO1 (0.57) ALDH1A1L3MBTL1LMNATSHRMAPT
SCHEMBL2608412 0.71 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1LMNATSHR
SCHEMBL6738366 0.71 TSHR (0.76) ALDH1A1PKMLMNATSHRMAPT
SCHEMBL4458062 0.71 CASP3 (0.53) KEAP1NFE2L2ALDH1A1PKMLMNA

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-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
EP-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 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-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 KEAP1 219/4885NFE2L2 1008/4885ALDH1A1 2862/4885

“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.