SCHEMBL4680875

SCHEMBL4680875

COc1ccc(-c2nc(-c3ccnc(C)c3)n[nH]2)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRK6 P43250 1/20 0.53

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
SCHEMBL4677787 0.88 — —
SCHEMBL28075509 0.88 GRK6 (0.60) GRK6
SCHEMBL4680998 0.87 XDH (0.50) —
SCHEMBL28075560 0.83 GRK6 (0.55) GRK6
SCHEMBL4680659 0.83 — —
SCHEMBL4676332 0.82 — —
SCHEMBL28075564 0.82 GRK6 (0.54) GRK6
SCHEMBL28075506 0.82 NR1H2 (0.61) GRK6
SCHEMBL4677413 0.81 — —
SCHEMBL4676520 0.80 MAPT (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471065-B1 NOVEL 1,2,4-TRIAZOLE COMPOUND FUJI YAKUHIN CO LTD (JP) 2008-02-27 — — EP disclosed
US-7074816-B2 1 2 4-triazole compound FUJI YAKUHIN CO., LTD. (JP) 2006-07-11 — — US disclosed
US-20050004175-A1 Novel 1 2 4-triazole compound FUJI YAKUHIN CO., LTD. (JP) 2005-01-06 — — US disclosed
EP-1471065-A1 NOVEL 1,2,4-TRIAZOLE COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2004-10-27 — — EP 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-20050004175-A1 Novel 1 2 4-triazole compound XDH, PNPO, NOX1 GRK6 1265/4885

“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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