SCHEMBL22347556

SCHEMBL22347556

Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KEAP1 Q14145 2/20 0.46
▸ NFE2L2 Q16236 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ CDK2 P24941 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
SCHEMBL22347418 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2ARECQLPOLB
SCHEMBL22348051 0.76 CASP3 (0.51) ALDH1A1KDM4EKMT2ATHRBTDP1
SCHEMBL22347691 0.72 KDM4E (0.49) ALDH1A1KDM4EKMT2ATHRBTDP1
SCHEMBL4429016 0.71 KEAP1 (0.53) ALDH1A1LMNAKMT2AATMTHRB
SCHEMBL3566734 0.69 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EKMT2ANPSR1
SCHEMBL14825143 0.69 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EPOLBRAB9A
SCHEMBL12360611 0.69 TSHR (0.78) ALDH1A1LMNAKMT2AMAPTRAB9A
SCHEMBL27740400 0.69 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AATMTHRB
SCHEMBL22347602 0.68 KDM4E (1.00) ALDH1A1LMNAKDM4EKMT2APOLB
SCHEMBL6738366 0.68 TSHR (0.76) ALDH1A1LMNAKMT2ATDP1POLB

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 11 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
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-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
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

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

For each of this compound's patents that has machine-readable text (3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 ALDH1A1 2862/4885LMNA 4193/4885KDM4E 3793/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885LMNA 4193/4885KDM4E 3793/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885LMNA 4193/4885KDM4E 3793/4885

“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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