SCHEMBL24259367

SCHEMBL24259367

C=C(CCF)C(=O)N(CCCCCC(N)=O)c1cccc(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
GPX4 P36969 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
PARP1 P09874 1/20 0.32
LMNA P02545 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.31
SIRT1 Q96EB6 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ADRA2C P18825 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
SCHEMBL24602602 0.91 LMNA (0.41) ALDH1A1NPC1TP53GPX4RAB9A
SCHEMBL24602625 0.91 NPC1 (0.32) ALDH1A1NPC1TP53GPX4RAB9A
SCHEMBL24259294 0.87 MLYCD (0.37) ALDH1A1NPC1TP53GPX4RAB9A
SCHEMBL24259121 0.86 ALDH1A1 (0.36) ALDH1A1NPC1TP53GPX4RAB9A
SCHEMBL24602563 0.78 POLB (0.31) ALDH1A1NPC1TP53GPX4RAB9A
SCHEMBL24259047 0.78 RXRA (0.39) ALDH1A1MTNR1AMTNR1BLMNAMAPT
SCHEMBL24259504 0.77 MAPT (0.33) ALDH1A1LMNAMAPT
SCHEMBL24259162 0.77 NPC1 (0.32) ALDH1A1NPC1TP53GPX4RAB9A
SCHEMBL24258809 0.76 RAD52 (0.35) ALDH1A1MTNR1AMTNR1BLMNAMAPT
SCHEMBL22353967 0.75 NR1H4 (0.32)

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 ALDH1A1 3573/4885NPC1 290/4885TP53 1486/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 3573/4885NPC1 290/4885TP53 1486/4885
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 ALDH1A1 2862/4885NPC1 149/4885TP53 1398/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885NPC1 149/4885TP53 1398/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885NPC1 149/4885TP53 1398/4885

“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.