SCHEMBL10052241

SCHEMBL10052241

CC(C)c1nc(C(=O)c2ccc(F)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.47
TACR3 P29371 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
LTA4H P09960 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
GRM1 Q13255 3/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
ALPG P10696 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL10052164 0.86 TLR7 (0.48) TLR7TACR3SMN1; SMN2NPC1RAB9A
SCHEMBL10052157 0.84 TLR7 (0.56) TLR7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27830319 0.82 TLR7 (0.54) TLR7SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10076390 0.80 RAB9A (0.50) TLR7TACR3SMN1; SMN2LTA4HNPC1
SCHEMBL786761 0.75 TLR7 (0.56) TLR7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21831118 0.74 TACR2 (0.42) TACR3SMN1; SMN2LTA4HNPC1RAB9A
SCHEMBL314037 0.73 TLR7 (0.53) TLR7ALDH1A1KDM4EL3MBTL1
SCHEMBL13827949 0.73 TLR7 (0.53) TLR7SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL786666 0.72 ALDH1A1 (0.62) TLR7NPC1RAB9AALDH1A1LMNA
SCHEMBL12224046 0.72 ALDH1A1 (0.62) TLR7NPC1RAB9AALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS PHARMASCIENCE INC. (CA) 2012-01-12 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 (1 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-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS BIRC5, BIRC7, BIRC2 TLR7 3296/4885TACR3 2321/4885SMN1; SMN2 1759/4885

“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.