SCHEMBL24258982

SCHEMBL24258982

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
MLYCD O95822 2/20 0.35
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
GPX4 P36969 1/20 0.33
PAX8 Q06710 1/20 0.33
FFAR1 O14842 2/20 0.33
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
LMNA P02545 1/20 0.32
GSK3B P49841 2/20 0.32
GFER P55789 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL24259121 0.87 ALDH1A1 (0.36) ALDH1A1RAB9ASMN1; SMN2HTTMLYCD
SCHEMBL24258986 0.86 MLYCD (0.36) ALDH1A1RAB9AMLYCDNPC1TP53
SCHEMBL24258777 0.77 NR1H4 (0.41) MEN1KMT2AGAA
SCHEMBL24258868 0.77 NR1H4 (0.33)
SCHEMBL24258978 0.77 NR1H4 (0.31)
SCHEMBL24258943 0.77 NR1H4 (0.44) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL24258823 0.76 NR1H4 (0.43)
SCHEMBL24602602 0.73 LMNA (0.41) ALDH1A1RAB9AHTTMLYCDNPC1
SCHEMBL24259367 0.73 ALDH1A1 (0.35) ALDH1A1RAB9ANPC1TP53GPX4
SCHEMBL24602597 0.70 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2HTTMLYCD

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 2124/4885SMN1; SMN2 4733/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885RAB9A 2124/4885SMN1; SMN2 4733/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885RAB9A 2124/4885SMN1; SMN2 4733/4885

“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.