SCHEMBL12727435

SCHEMBL12727435

CCOC(=O)ONC(=O)C(NC(=O)c1ccc(-n2c(=O)[nH]c3cc(C)c(F)cc3c2=O)cc1)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 5/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RXFP1 Q9HBX9 3/20 0.34
▸ HTR3A P46098 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL14273356 0.94 P2RY12 (0.40) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12768895 0.92 P2RY12 (0.49) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12727437 0.87 P2RY12 (0.44) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL1639047 0.83 P2RY12 (0.54) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12727501 0.80 P2RY12 (0.42) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12727419 0.80 P2RY12 (0.44) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL15624190 0.80 P2RY12 (0.49) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12768890 0.79 P2RY12 (0.56) P2RY12SMN1; SMN2GAATP53MAPT
SCHEMBL12727407 0.79 P2RY12 (0.56) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12727503 0.78 P2RY12 (0.42) P2RY12SMN1; SMN2GAANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US 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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 P2RY12 120/4885SMN1; SMN2 2226/4885GAA 4412/4885

“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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