SCHEMBL1316455

SCHEMBL1316455

CN(C(=O)CNC(=O)c1ccc(-c2cccc(CN)c2)o1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 11/20 0.47
▸ PYGL P06737 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAP4K4 O95819 1/20 0.41
▸ F2 P00734 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL1318008 0.94 MMP13 (0.43) MMP13PYGLNPC1RAB9AF2
SCHEMBL1300026 0.84 PYGL (0.44) MMP13PYGLNPC1RAB9A
SCHEMBL1319100 0.84 MMP13 (0.47) MMP13
SCHEMBL1319743 0.81 MMP13 (0.54) MMP13
SCHEMBL1300152 0.79 PYGL (0.48) PYGLNPC1RAB9A
SCHEMBL1300636 0.79 RAB9A (0.46) PYGLNPC1RAB9A
SCHEMBL1317254 0.78 MCHR1 (0.44) MMP13PYGLNPC1RAB9A
SCHEMBL1317535 0.78 MAPT (0.54) NPC1RAB9A
SCHEMBL1300144 0.78 PYGL (0.47) PYGLMAP4K4
SCHEMBL1299819 0.77 PYGL (0.44) PYGL

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-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
EP-2346831-A2 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-07-27 — — 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-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 MMP13 1/4885PYGL 2049/4885NPC1 1853/4885

“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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