SCHEMBL14278562

SCHEMBL14278562

BC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.56
▸ ANPEP P15144 2/20 0.56
▸ DPP7 Q9UHL4 6/20 0.39
▸ DPP8 Q6V1X1 5/20 0.39
▸ DPP9 Q86TI2 5/20 0.39
▸ DPP4 P27487 4/20 0.39
▸ FKBP1A P62942 2/20 0.32
▸ CAPN1 P07384 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL13920777 0.83 MMP2 (0.52) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL16350376 0.83 MMP2 (0.52) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL15221467 0.82 MMP2 (0.51) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL29591658 0.82 MMP2 (0.71) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL26661743 0.78 MMP2 (0.55) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL13920584 0.78 MMP2 (0.46) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL13920587 0.78 MMP2 (0.46) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL15221388 0.77 MMP2 (0.45) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL12705546 0.76 FKBP1A (0.36) FKBP1AMEN1KMT2A
SCHEMBL12705544 0.76 ATM (0.41) MMP2ANPEPFKBP1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919505-B2 Xinafoate salt of a substituted 5-oxazol-2-yl-quinoline compound SCHERING CORPORATION (US) 2011-04-05 — — US disclosed
US-20080027101-A1 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND SCHERING CORPORATION 2008-01-31 — — 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-20080027101-A1 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND XDH, UPF1, NOX5 MMP2 3125/4885ANPEP 3335/4885DPP7 2361/4885

“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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