SCHEMBL24259043

SCHEMBL24259043

C=C(CCF)C(=O)N(CCCCCc1nnc(C)o1)c1cccc(-c2ccnc(OC)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.38
PLCG1 P19174 1/20 0.34
MAPT P10636 3/20 0.33
CNR1 P21554 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
WNT3A P56704 1/20 0.31
SLC13A5 Q86YT5 1/20 0.30

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
SCHEMBL24259277 0.85 NR1H4 (0.40) NR1H4PLCG1CNR1WNT3A
SCHEMBL24258829 0.84 NR1H4 (0.41) NR1H4PLCG1MAPTCNR1HDAC1
SCHEMBL22354071 0.82 NR1H4 (0.52) NR1H4CNR1
SCHEMBL24258769 0.81 NR1H4 (0.46) NR1H4
SCHEMBL24259321 0.80 NR1H4 (0.41) NR1H4CNR1
SCHEMBL24259209 0.80 NR1H4 (0.49) NR1H4MAPT
SCHEMBL24258837 0.78 NR1H4 (0.40) NR1H4
SCHEMBL24258941 0.77 NR1H4 (0.50) NR1H4PLCG1
SCHEMBL24602563 0.73 POLB (0.31) MAPT
SCHEMBL24259206 0.72 CNR1 (0.41) PLCG1MAPTCNR1WNT3A

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 2/4885PLCG1 1826/4885MAPT 398/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885PLCG1 1826/4885MAPT 398/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885PLCG1 1826/4885MAPT 398/4885

“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.