SCHEMBL3328186

SCHEMBL3328186

CCOC(=O)c1cc(OCC(=O)OCc2ccccc2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
P2RY12 Q9H244 3/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL3332342 0.86 P2RY12 (0.53) SMN1; SMN2P2RY12ALDH1A1LMNAMEN1
SCHEMBL9379894 0.83 CASP3 (0.50) CASP3CASP7CASP9SMN1; SMN2P2RY12
SCHEMBL2906705 0.83 MAPT (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AALOX15
SCHEMBL3330423 0.83 DHODH (0.43) SMN1; SMN2ALDH1A1LMNATP53TSHR
SCHEMBL9379145 0.83 P2RY12 (0.48) CASP3CASP7CASP9SMN1; SMN2P2RY12
SCHEMBL7746134 0.80 CASP1 (0.45) CASP3CASP7CASP9SMN1; SMN2ALDH1A1
SCHEMBL9379888 0.80 CASP3 (0.48) CASP3CASP7CASP9SMN1; SMN2P2RY12
SCHEMBL2808587 0.78 P2RY12 (0.53) SMN1; SMN2P2RY12ALDH1A1ALOX15
SCHEMBL9381350 0.77 ALOX15 (0.55) SMN1; SMN2P2RY12ALDH1A1MEN1KMT2A
SCHEMBL31389266 0.77 ALOX15 (0.55) SMN1; SMN2ALDH1A1LMNATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 CASP3 2758/4885CASP7 2981/4885CASP9 2219/4885

“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.