SCHEMBL3328574

SCHEMBL3328574

CCOC(=O)c1cc(O)c2c(C)cccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ELANE P08246 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CCR6 P51684 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL31167428 0.86 CYP1A2 (0.51) CYP1A2CA12CA1CA2CA7
SCHEMBL2907070 0.86 MAPT (0.52) CYP1A2CA12CA1CA2CA7
SCHEMBL2902318 0.82 CA12 (0.47) CYP1A2CA12CA1CA2CA7
SCHEMBL2910077 0.81 DHODH (0.46) ALDH1A1GAAMAPTKDM4ETDP1
SCHEMBL2907208 0.80 CA12 (0.48) CYP1A2CA12CA1CA2CA7
SCHEMBL1733527 0.80 SMN1; SMN2 (0.54) CYP1A2ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL30002312 0.80 SMN1; SMN2 (0.54) CYP1A2ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL3331904 0.78 ALDH1A1 (0.47) CYP1A2CA12CA1CA2CA7
SCHEMBL3330970 0.78 SMN1; SMN2 (0.47) CYP1A2CA12CA1CA2CA7
SCHEMBL20606488 0.78 CYP1A2 (0.54) CYP1A2CA12CA1CA2CA7

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 CYP1A2 1343/4885CA12 4424/4885CA1 4759/4885

“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.