SCHEMBL24258710

SCHEMBL24258710

C=C(CCF)C(=O)N(CCCCCc1nc(C)no1)c1cccc(-c2cnc(C3CCOCC3)o2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.39
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
PAX8 Q06710 1/20 0.33
POLB P06746 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
GRM5 P41594 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL24258770 0.93 NR1H4 (0.46) NR1H4
SCHEMBL24451745 0.85 NR1H4 (0.43) NR1H4MAPTLMNATP53GRM5
SCHEMBL24258791 0.83 NR1H4 (0.39) NR1H4MAPTLMNATP53PAX8
SCHEMBL24258887 0.82 NR1H4 (0.53) NR1H4HDAC1HDAC8HDAC6
SCHEMBL22353766 0.81 NR1H4 (0.44) NR1H4
SCHEMBL24258769 0.78 NR1H4 (0.46) NR1H4
SCHEMBL24258934 0.77 NR1H4 (0.45) NR1H4MAPTLMNATP53PAX8
SCHEMBL24258757 0.77 NR1H4 (0.49) NR1H4TNKSPARP1PARP2
SCHEMBL24259005 0.77 NR1H4 (0.47) NR1H4
SCHEMBL24258840 0.77 NR1H4 (0.48) NR1H4

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 2/4885MAPT 398/4885LMNA 4193/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885MAPT 398/4885LMNA 4193/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885MAPT 398/4885LMNA 4193/4885

“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.