SCHEMBL24259060

SCHEMBL24259060

O=CCCCCc1nc(C2CC2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 2/20 0.35
ADORA1 P30542 2/20 0.35
NPC1 O15118 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
FPR1 P21462 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 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
SCHEMBL24258782 0.78 TMIGD3 (0.36) TMIGD3ADORA1NPC1MAPTRAB9A
SCHEMBL24258721 0.73 HDAC3 (0.44) TMIGD3ADORA1MAPTHSD17B10HPGD
SCHEMBL24258819 0.70 SCN5A (0.31)
SCHEMBL22904608 0.70 MAPT (0.42) TMIGD3ADORA1NPC1MAPTRAB9A
SCHEMBL24963463 0.70 MAPT (0.39) TMIGD3ADORA1NPC1MAPTRAB9A
SCHEMBL3361922 0.68 RORC (0.41) TMIGD3ADORA1MAPTRAB9ASMN1; SMN2
SCHEMBL13478042 0.67 HDAC3 (0.49) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL7382979 0.67 ALDH1A1 (0.50) TMIGD3ADORA1NPC1MAPTRAB9A
SCHEMBL21773025 0.66 ADORA1 (0.41) TMIGD3ADORA1NPC1MAPTRAB9A
SCHEMBL3041343 0.66 HDAC3 (0.65) NPC1MAPTRAB9AALDH1A1SMN1; SMN2

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 TMIGD3 1418/4885ADORA1 695/4885NPC1 149/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TMIGD3 1418/4885ADORA1 695/4885NPC1 149/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TMIGD3 1418/4885ADORA1 695/4885NPC1 149/4885

“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.