SCHEMBL12768221

SCHEMBL12768221

CNc1cc2[nH]c(=O)n(-c3ccc(C(=O)OC)cc3OC)c(=O)c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.48
▸ KMT2A Q03164 10/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ HSD17B10 Q99714 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ P2RY12 Q9H244 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ HPGD P15428 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL12768222 0.92 HSD17B10 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL12727456 0.89 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL12727377 0.85 P2RY12 (0.54) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL12727454 0.79 P2RY12 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL1640102 0.79 P2RY12 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL1640632 0.75 P2RY12 (0.43) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL1640633 0.75 P2RY12 (0.42) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL14525281 0.72 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL195280 0.71 P2RY12 (0.54) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL4253105 0.70 ALDH1A1 (0.62) ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 — — EP disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — 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 (2 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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 ALDH1A1 284/4885KMT2A 2815/4885SMN1; SMN2 2226/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT ALDH1A1 1431/4885KMT2A 4432/4885SMN1; SMN2 3677/4885

“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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