SCHEMBL24259062

SCHEMBL24259062

C=C(CCF)C(=O)N(CCCCCc1nnc(C2CC2)o1)c1cccc(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.32
NR1H4 Q96RI1 6/20 0.32
HTT P42858 1/20 0.32
POLB P06746 2/20 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
SCHEMBL22354072 0.86 RAB9A (0.34) ALDH1A1RAB9AMEN1NPC1KMT2A
SCHEMBL24258946 0.86 NR1H4 (0.47) NR1H4
SCHEMBL24602563 0.84 POLB (0.31) ALDH1A1RAB9ANPC1KMT2APOLB
SCHEMBL24259017 0.84 AKR1C4 (0.35) L3MBTL1NR1H4
SCHEMBL24258837 0.83 NR1H4 (0.40) ALDH1A1NR1H4
SCHEMBL24259209 0.82 NR1H4 (0.49) ALDH1A1NR1H4
SCHEMBL24258959 0.78 NR1H4 (0.34) NR1H4
SCHEMBL22353967 0.78 NR1H4 (0.32) NR1H4
SCHEMBL24259011 0.78 NR1H4 (0.45) NR1H4
SCHEMBL22353943 0.78 NR1H4 (0.45) 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 ALDH1A1 2862/4885RAB9A 2124/4885MEN1 3478/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885RAB9A 2124/4885MEN1 3478/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885RAB9A 2124/4885MEN1 3478/4885

“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.