SCHEMBL10539201

SCHEMBL10539201

COC(=O)CC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
ALDH1A1 P00352 5/20 0.59
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
TP53 P04637 1/20 0.57
TSHR P16473 2/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
KMO O15229 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
AGTR1 P30556 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL1110091 0.87 KMT2A (0.62) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL18300806 0.87 KMT2A (0.60) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL5869531 0.86 MAPT (0.62) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL27570821 0.84 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL8921654 0.84 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL38656427 0.84 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL1420765 0.83 TP53 (0.67) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL1420764 0.83 TP53 (0.67) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL11673189 0.83 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL10790549 0.81 TSHR (0.68) KMT2AMEN1ALDH1A1CES2CES1

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 15 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-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-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
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
CN-113677666-A Substituted bicyclic compounds as farnesoid X receptor modulators 百时美施贵宝公司 2021-11-19 CN disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
US-4829076-A CARDIOVASCULAR DISORDERS ALKALOIDA VEGYESZETI GYAR (HU) 1989-05-09 US disclosed
US-4041158-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-4026709-A Color photographic recording material CIBA-GEIGY AG (CH) 1977-05-31 US disclosed
US-3984432-A PHOSPHONIC ACID AND PHOSPHORIC ACID DERIVATIVES CIBA-GEIGY AG (CH) 1976-10-05 US 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 KMT2A 4180/4885MEN1 2710/4885ALDH1A1 2882/4885
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 KMT2A 4180/4885MEN1 2710/4885ALDH1A1 2882/4885
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 KMT2A 4497/4885MEN1 3478/4885ALDH1A1 2862/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 KMT2A 4497/4885MEN1 3478/4885ALDH1A1 2862/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 KMT2A 4180/4885MEN1 2710/4885ALDH1A1 2882/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 KMT2A 4497/4885MEN1 3478/4885ALDH1A1 2862/4885

“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.