SCHEMBL24258943

SCHEMBL24258943

C=C(CCF)C(=O)N(CCCCCC#N)c1cccc(-c2nnc(C3CC3)o2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.44
NR1I2 O75469 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TNKS O95271 8/20 0.36
PARP2 Q9UGN5 6/20 0.36
PARP1 P09874 5/20 0.36

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
SCHEMBL22353943 0.90 NR1H4 (0.45) NR1H4NR1I2CYP2C19KDM4ETNKS
SCHEMBL24259011 0.90 NR1H4 (0.45) NR1H4NR1I2CYP2C19KDM4ETP53
SCHEMBL24259105 0.87 NR1H4 (0.42) NR1H4NR1I2CYP2C19KDM4ETNKS
SCHEMBL24258914 0.86 NR1H4 (0.42) NR1H4NR1I2CYP2C19KDM4ETNKS
SCHEMBL24258823 0.86 NR1H4 (0.43) NR1H4NR1I2CYP2C19
SCHEMBL24258840 0.84 NR1H4 (0.48) NR1H4NR1I2CYP2C19
SCHEMBL24258871 0.81 NR1H4 (0.50) NR1H4NR1I2CYP2C19TNKSPARP2
SCHEMBL24258880 0.80 NR1H4 (0.47) NR1H4NR1I2CYP2C19
SCHEMBL24258946 0.80 NR1H4 (0.47) NR1H4NR1I2CYP2C19
SCHEMBL24258982 0.77 ALDH1A1 (0.36) KDM4ENPC1TP53RAB9ASMN1; 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 3 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-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

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 NR1H4 2/4885NR1I2 8/4885CYP2C19 1550/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885NR1I2 8/4885CYP2C19 1550/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885NR1I2 8/4885CYP2C19 1550/4885

“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.