SCHEMBL9922267

SCHEMBL9922267

CN(C)c1ccc2c(c1)CC(=O)NC2=O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 20/20 0.58
▸ CASP3 P42574 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP9 P55211 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ MAP3K14 Q99558 1/20 0.51

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
SCHEMBL26666452 0.79 AHR (0.56) —
SCHEMBL29859998 0.79 AHR (0.56) —
SCHEMBL9920103 0.77 TDP2 (0.64) TDP2CASP3CASP7CASP9CASP6
SCHEMBL6856826 0.77 MAOA (0.50) —
SCHEMBL162956 0.76 CLK4 (0.49) —
SCHEMBL4886295 0.76 ALDH1A1 (0.46) —
SCHEMBL372275 0.74 ALDH1A1 (0.58) —
SCHEMBL3575463 0.74 TDP2 (1.00) TDP2CASP3CASP7CASP9CASP6
SCHEMBL3563577 0.74 TDP2 (1.00) TDP2CASP3CASP7CASP9CASP6
SCHEMBL3575982 0.74 TDP2 (0.74) TDP2CASP3CASP7CASP9CASP6

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 — — 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 TDP2 2409/4885CASP3 2695/4885CASP7 2601/4885

“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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