SCHEMBL24259515

SCHEMBL24259515

C=C(CCF)C(=O)N(CCCCCc1noc(C(C)(F)F)n1)c1cccc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.33
HDAC6 Q9UBN7 8/20 0.33
HDAC8 Q9BY41 6/20 0.33
MAPT P10636 1/20 0.33
HDAC5 Q9UQL6 2/20 0.31
NR1H4 Q96RI1 4/20 0.31
GPX4 P36969 1/20 0.31
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 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
SCHEMBL24259582 0.86 MAPT (0.35) HDAC1HDAC6HDAC8MAPTHDAC5
SCHEMBL22350261 0.86 HDAC1 (0.32) HDAC1HDAC6HDAC8MAPT
SCHEMBL24259050 0.85 NR1H4 (0.49) NR1H4
SCHEMBL24259465 0.84 NR1H4 (0.35) NR1H4
SCHEMBL24258908 0.84 NR1H4 (0.34) NR1H4
SCHEMBL22353640 0.83 NR1H4 (0.35) NR1H4
SCHEMBL24259316 0.82 MAPT (0.36) HDAC1HDAC8MAPTNR1H4GPX4
SCHEMBL24602563 0.80 POLB (0.31) MAPTGPX4
SCHEMBL24258927 0.80 MAPT (0.34) HDAC1HDAC6HDAC8MAPTNR1H4
SCHEMBL22354000 0.80 NR1H4 (0.30) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 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 (5 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-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 HDAC1 641/4885HDAC6 411/4885HDAC8 1194/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC1 641/4885HDAC6 411/4885HDAC8 1194/4885
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 HDAC1 998/4885HDAC6 477/4885HDAC8 995/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC1 998/4885HDAC6 477/4885HDAC8 995/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC1 998/4885HDAC6 477/4885HDAC8 995/4885

“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.