SCHEMBL3328166

SCHEMBL3328166

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
ALOX15 P16050 3/20 0.42
KDM4E B2RXH2 2/20 0.41
IGFBP5 P24593 2/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.40
IGFBP3 P17936 4/20 0.40
PARP1 P09874 1/20 0.40
ALB P02768 1/20 0.40
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.37
PTGER1 P34995 1/20 0.36

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
SCHEMBL2908140 0.85 KDM4E (0.46) MGAMALOX15KDM4EIGFBP5TSHR
SCHEMBL16832509 0.84 KDM4E (0.45) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL9384941 0.82 MAPT (0.43) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL2910010 0.81 MGAM (0.42) MGAMALOX15KDM4EIGFBP5TSHR
SCHEMBL7524860 0.81 KDM4E (0.44) MGAMALOX15KDM4EIGFBP5TSHR
SCHEMBL2910077 0.81 DHODH (0.46) MGAMALOX15KDM4EIGFBP5TSHR
SCHEMBL3329400 0.81 IGFBP5 (0.41) MGAMALOX15KDM4EIGFBP5TSHR
SCHEMBL9343881 0.80 ALOX15 (0.41) MGAMALOX15KDM4EIGFBP5TSHR
SCHEMBL3332175 0.78 HSD17B14 (0.42) ALOX15KDM4EIGFBP5TSHRTDP1
SCHEMBL8123552 0.77 IGFBP3 (0.43) ALOX15KDM4EIGFBP5TSHRACMSD

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 6 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
CN-101663293-B Quinoline-carboxamide derivatives as p2y12 antagonists SANOFI AVENTIS SPA 2013-07-31 CN disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
CN-101663293-A Quinoline-carboxamide derivatives as p2y12 antagonists SANOFI AVENTIS 2010-03-03 CN 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 MGAM 3548/4885ALOX15 1920/4885KDM4E 1525/4885

“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.