SCHEMBL22347602

SCHEMBL22347602

O=[N+]([O-])c1cccc(-c2nnc(C3CC3)o2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 1.00
▸ ALDH1A1 P00352 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ NPC1 O15118 4/20 0.66
▸ RAB9A P51151 4/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ LMNA P02545 1/20 0.60
▸ MAPK1 P28482 1/20 0.59
▸ CA1 P00915 3/20 0.56
▸ CA2 P00918 3/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CA13 Q8N1Q1 2/20 0.56
▸ PSMB8 P28062 1/20 0.51
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GUSB P08236 1/20 0.47
▸ GSK3A P49840 1/20 0.45

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
SCHEMBL25338756 0.83 ALDH1A1 (0.81) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10245542 0.80 NPC1 (1.00) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL20501800 0.77 KDM4E (0.63) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL28372775 0.77 NPC1 (0.73) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2837185 0.77 RAB9A (0.73) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL29006444 0.77 NPC1 (0.73) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL30362152 0.77 NPC1 (0.73) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL4607599 0.77 RAB9A (0.73) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL5375357 0.77 MAPT (0.71) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL19551904 0.76 KDM4E (0.62) KDM4EALDH1A1MAPTNPC1RAB9A

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-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
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 (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 KDM4E 3386/4885ALDH1A1 2882/4885MAPT 510/4885
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 KDM4E 3386/4885ALDH1A1 2882/4885MAPT 510/4885
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 KDM4E 3793/4885ALDH1A1 2862/4885MAPT 398/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 KDM4E 3793/4885ALDH1A1 2862/4885MAPT 398/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 KDM4E 3386/4885ALDH1A1 2882/4885MAPT 510/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 KDM4E 3793/4885ALDH1A1 2862/4885MAPT 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.

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