SCHEMBL29900976

SCHEMBL29900976

COC(=O)/C=C(\C)c1cccc(NCC23CCC(c4ccc(Br)cc4)(CC2)CC3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PPARA Q07869 2/20 0.35
NTSR1 P30989 1/20 0.35
ATM Q13315 1/20 0.35
PARP1 P09874 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
NR1H4 Q96RI1 5/20 0.33
HIF1A Q16665 2/20 0.33
TP53 P04637 1/20 0.33
EPAS1 Q99814 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL22350211 1.00 RAB9A (0.38) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL22350402 0.90 NR1H4 (0.42) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL29900997 0.90 NR1H4 (0.42) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL22348075 0.90 PARP1 (0.40) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL22350241 0.88 NR1H4 (0.45) NPC1MAPTPARP1PARP15PARP14
SCHEMBL22347641 0.82 PPARA (0.41) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL22350273 0.81 NR1H4 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1NR1H4
SCHEMBL22350212 0.79 NR1H4 (0.45) SMN1; SMN2PARP1PARP15PARP14PARP10
SCHEMBL25992144 0.75 MAPT (0.44) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL29900940 0.75 NR1H4 (0.62) 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 2 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-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 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 (2 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 RAB9A 1240/4885SMN1; SMN2 4760/4885ALDH1A1 3573/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 RAB9A 1240/4885SMN1; SMN2 4760/4885ALDH1A1 3573/4885

“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.