SCHEMBL3334885

SCHEMBL3334885

CCOC(=O)c1cc(OCC(=O)O)c2ccc(C)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.55
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ P2RY12 Q9H244 5/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL3330164 0.89 KDM4E (0.56) KDM4EP2RY12PTGDR2KCNH2
SCHEMBL3332342 0.88 P2RY12 (0.53) KDM4EALDH1A1SMN1; SMN2P2RY12LMNA
SCHEMBL3329167 0.85 LMNA (0.42) KDM4EALDH1A1SMN1; SMN2P2RY12LMNA
SCHEMBL3332188 0.79 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL3330737 0.79 P2RY12 (0.47) KDM4EALDH1A1SMN1; SMN2P2RY12
SCHEMBL3330423 0.76 DHODH (0.43) KDM4EALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL3331064 0.75 P2RY12 (0.68) P2RY12
SCHEMBL3331051 0.75 P2RY12 (0.68) P2RY12
SCHEMBL3328186 0.74 CASP3 (0.48) KDM4EALDH1A1SMN1; SMN2P2RY12LMNA
SCHEMBL9729781 0.73 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2LMNAMAPK1

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 KDM4E 1525/4885ALDH1A1 2297/4885SMN1; SMN2 4406/4885

“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.

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