SCHEMBL12579451

SCHEMBL12579451

CC(C)Oc1cc(Oc2cnc(C(=O)NN)cn2)cc(C(=O)Nc2ccn(C)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 20/20 0.64
▸ CYP1A2 P05177 1/20 0.57
▸ ABCB1 P08183 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C8 P10632 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2B6 P20813 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KCNH2 Q12809 4/20 0.57

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
SCHEMBL1426899 0.91 GCK (0.63) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL1426959 0.90 GCK (0.61) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL12579748 0.90 GCK (0.61) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL13268823 0.90 GCK (0.60) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL13268632 0.89 GCK (0.61) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL13268633 0.89 GCK (0.61) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL13557909 0.89 GCK (0.61) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL2667075 0.89 GCK (0.59) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL12579106 0.88 GCK (0.64) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL12579843 0.87 GCK (0.58) GCKCYP1A2ABCB1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277208-A1 BENZAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-11-01 — — US disclosed
US-20120277208-A1 BENZAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-11-01 — — US disclosed
EP-2511265-A1 BENZAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-10-17 — — EP disclosed
EP-2511265-A1 BENZAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-10-17 — — EP disclosed
WO-2011071095-A1 BENZAMIDE COMPOUND アステラス製薬株式会社 (JP) 2011-06-16 — — 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-20120277208-A1 BENZAMIDE COMPOUND GK, GCKR, GPR119 GCK 14/4885CYP1A2 1587/4885ABCB1 2197/4885

“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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