SCHEMBL22347151

SCHEMBL22347151

O=Cc1coc(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
MAPT P10636 8/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PSMB8 P28062 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.49
ELANE P08246 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA4 P43681 1/20 0.48
MAPK1 P28482 1/20 0.48
GRM5 P41594 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CA1 P00915 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
SCHEMBL27602542 0.82 MMP2 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL20501917 0.81 NPC1 (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL22347335 0.78 NPC1 (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL30106462 0.78 NPC1 (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL21357623 0.78 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL22347698 0.78 RAB9A (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL15330849 0.78 MECP2 (0.45) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL22347271 0.75 ALDH1A1 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4185953 0.75 NPC1 (0.67) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL15330824 0.73 MAPT (0.52) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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 18 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-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 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
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 US disclosed
EP-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
EP-3924337-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
CN-113710656-A Substituted bicyclic compounds as farnesoid X receptor modulators 百时美施贵宝公司 2021-11-26 CN 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 NPC1 198/4885RAB9A 1738/4885MAPT 510/4885
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NPC1 198/4885RAB9A 1738/4885MAPT 510/4885
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NPC1 149/4885RAB9A 2124/4885MAPT 398/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NPC1 149/4885RAB9A 2124/4885MAPT 398/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NPC1 198/4885RAB9A 1738/4885MAPT 510/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NPC1 149/4885RAB9A 2124/4885MAPT 398/4885

“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.