SCHEMBL24258837

SCHEMBL24258837

C=C(CCF)C(=O)N(CCCCCc1nnc(C2CC2)o1)c1cccc(-c2cnc(OC)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 17/20 0.40
ALDH1A1 P00352 2/20 0.37
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL24259209 0.91 NR1H4 (0.49) NR1H4ALDH1A1
SCHEMBL24259062 0.83 ALDH1A1 (0.35) NR1H4ALDH1A1
SCHEMBL24258946 0.82 NR1H4 (0.47) NR1H4
SCHEMBL24258944 0.80 NR1H4 (0.39) NR1H4
SCHEMBL24259105 0.79 NR1H4 (0.42) NR1H4TNKSPARP1PARP2
SCHEMBL24259043 0.78 NR1H4 (0.38) NR1H4
SCHEMBL24258941 0.77 NR1H4 (0.50) NR1H4ALDH1A1
SCHEMBL24258840 0.77 NR1H4 (0.48) NR1H4
SCHEMBL24259011 0.77 NR1H4 (0.45) NR1H4TNKSPARP1PARP2
SCHEMBL22353943 0.77 NR1H4 (0.45) NR1H4TNKSPARP1PARP2

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 2/4885ALDH1A1 2862/4885TNKS 3787/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885ALDH1A1 2862/4885TNKS 3787/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885ALDH1A1 2862/4885TNKS 3787/4885

“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.