SCHEMBL22348051

SCHEMBL22348051

Cn1cc(-c2cccc([N+](=O)[O-])c2)nc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KEAP1 Q14145 6/20 0.46
▸ NFE2L2 Q16236 6/20 0.46
▸ THRB P10828 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ MAOA P21397 2/20 0.43

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
SCHEMBL22347198 0.78 ALDH1A1 (0.44) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL16934981 0.77 HPGDS (0.52) CASP3SENP8SENP7SENP6MAPT
SCHEMBL22347691 0.76 KDM4E (0.49) CASP3SENP8SENP7SENP6MAPT
SCHEMBL22347556 0.76 ALDH1A1 (0.54) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL22347531 0.73 KDM4E (0.51) CASP3SENP8SENP7SENP6MAPT
SCHEMBL20501777 0.72 KDM4E (0.60) CASP3SENP8SENP7SENP6MAPT
SCHEMBL20501877 0.71 KDM4E (0.55) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27740400 0.70 ALDH1A1 (0.52) CASP3SENP8SENP7SENP6MAPT
SCHEMBL22347362 0.70 SMN1; SMN2 (0.59) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2578509 0.70 KEAP1 (0.50) CASP3SENP8SENP7SENP6MAPT

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-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
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

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 CASP3 2482/4885SENP8 4361/4885SENP7 4644/4885
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 CASP3 2482/4885SENP8 4361/4885SENP7 4644/4885
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 CASP3 2794/4885SENP8 3330/4885SENP7 4172/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 CASP3 2794/4885SENP8 3330/4885SENP7 4172/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 CASP3 2482/4885SENP8 4361/4885SENP7 4644/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 CASP3 2794/4885SENP8 3330/4885SENP7 4172/4885

“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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