SCHEMBL24259212

SCHEMBL24259212

C=C(F)CCC(=O)N(CCCCCc1nc(C(C)(C)C)no1)c1cccc(-c2ncc(OC)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.49
MAPT P10636 4/20 0.39
THRB P10828 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL24259475 0.89 NR1H4 (0.44) NR1H4MAPT
SCHEMBL24259428 0.87 NR1H4 (0.49) NR1H4HDAC1
SCHEMBL24258960 0.86 NR1H4 (0.49) NR1H4MAPTTHRB
SCHEMBL24258990 0.84 MAPT (0.41) NR1H4MAPTHDAC1HDAC2HDAC8
SCHEMBL24259068 0.83 NR1H4 (0.47) NR1H4MAPTHDAC1HDAC2HDAC8
SCHEMBL24258913 0.82 NR1H4 (0.52) NR1H4MAPT
SCHEMBL24258917 0.81 NR1H4 (0.49) NR1H4MAPTHDAC1HDAC2HDAC8
SCHEMBL24259308 0.80 MAPT (0.38) NR1H4MAPTHDAC1HDAC2HDAC8
SCHEMBL24258958 0.79 NR1H4 (0.45) NR1H4MAPT
SCHEMBL24259371 0.79 NR1H4 (0.48) NR1H4MAPTHDAC1HDAC2HDAC8

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 398/4885THRB 136/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885MAPT 398/4885THRB 136/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885MAPT 398/4885THRB 136/4885

“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.