SCHEMBL4273262

SCHEMBL4273262

CCOc1cc(NC(=O)O)nc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.53
ADORA1 P30542 13/20 0.51
ADORA2A P29274 8/20 0.51
ADORA2B P29275 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.48
P2RY12 Q9H244 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL4263343 0.85 MCL1 (0.52) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL13931514 0.85 ADORA1 (0.48) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL4267602 0.84 ADORA1 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5269568 0.83 PLA2G2A (0.48) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL8271637 0.81 NPC1 (0.58) ADORA1ADORA2ASMN1; SMN2KDM4ENPC1
SCHEMBL4271936 0.79 NPC1 (0.55) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA
SCHEMBL16724449 0.78 P2RY12 (0.51) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL4262403 0.78 GAA (0.52) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL4257699 0.74 GAA (0.67) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL4264922 0.74 NPC1 (0.59) ADORA1ADORA2ASMN1; SMN2KDM4ENPC1

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-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 ADORA3 591/4885ADORA1 570/4885ADORA2A 840/4885

“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.