SCHEMBL3336367

SCHEMBL3336367

CCOC(=O)c1cc(O)c2ccc(OC)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 7/20 0.54
HPGD P15428 7/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 4/20 0.44
GLA P06280 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 3/20 0.44
PRNP P04156 1/20 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
SCHEMBL2658663 0.90 CTSL (0.62) ALDH1A1KDM4EHPGDCTSLCTSB
SCHEMBL562343 0.86 BACE1 (0.47) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL3332188 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL31167429 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL3328767 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL2908122 0.82 ALOX15 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL30002312 0.81 SMN1; SMN2 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL1733527 0.81 SMN1; SMN2 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL3374397 0.80 KDM4E (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL4470516 0.80 KDM4E (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT

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 ALDH1A1 2297/4885KDM4E 1525/4885HPGD 1458/4885

“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.