SCHEMBL978718

SCHEMBL978718

CCOc1ccc(-c2cccc(N)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.65
CYP3A4 P08684 2/20 0.65
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAOA P21397 1/20 0.53
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
NQO1 P15559 1/20 0.50
MAP4K4 O95819 2/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL3793225 0.87 CYP3A4 (0.79) TP53CYP3A4TSHRTDP1MAOA
SCHEMBL30093058 0.87 CYP3A4 (0.79) TP53CYP3A4TSHRTDP1MAOA
SCHEMBL3786792 0.84 CYP3A4 (0.68) TP53CYP3A4TSHRTDP1MAOA
SCHEMBL1337788 0.82 TP53 (0.65) TP53CYP3A4TSHRTDP1RXRA
SCHEMBL3790560 0.81 TDP1 (0.86) TP53CYP3A4TSHRTDP1NQO1
SCHEMBL3789833 0.80 TP53 (0.62) TP53CYP3A4TSHRTDP1RXRA
SCHEMBL3786847 0.80 TP53 (0.62) TP53CYP3A4TSHRTDP1RXRA
Benzidine SCHEMBL7163808 0.80 MAOA (0.55) TP53CYP3A4TDP1MAOAMAP4K4
Ether SCHEMBL7219756 0.80 MAOA (0.55) TP53CYP3A4TDP1MAOAMAP4K4
SCHEMBL2623677 0.80 NQO1 (0.52) TP53RXRARXRBNQO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-02-18 US disclosed
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-06 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
EP-3924337-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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 (5 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-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TP53 1590/4885CYP3A4 468/4885TSHR 567/4885
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 TP53 1590/4885CYP3A4 468/4885TSHR 567/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TP53 2819/4885CYP3A4 177/4885TSHR 1688/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 TP53 1590/4885CYP3A4 468/4885TSHR 567/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 TP53 39/4885CYP3A4 1573/4885TSHR 4844/4885

“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.