SCHEMBL1317254

SCHEMBL1317254

CN(C(=O)CNC(=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)o1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PYGL P06737 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ GPR119 Q8TDV5 2/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42
▸ MMP13 P45452 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ SCN5A Q14524 1/20 0.40

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
SCHEMBL1317535 0.83 MAPT (0.54) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL1300026 0.82 PYGL (0.44) KDM4EMEN1ALDH1A1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL1318008 0.79 MMP13 (0.43) NPC1RAB9APYGLMMP13CYP1A2
SCHEMBL1300152 0.79 PYGL (0.48) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL1316455 0.78 MMP13 (0.47) NPC1RAB9APYGLMMP13
SCHEMBL1299204 0.78 ALDH1A1 (0.54) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL1299819 0.77 PYGL (0.44) PYGL
SCHEMBL1300636 0.77 RAB9A (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL1299840 0.76 PYGL (0.54) PYGL
SCHEMBL1300606 0.76 PYGL (0.53) 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 MCHR1 3842/4885KDM4E 2488/4885MEN1 1910/4885

“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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