SCHEMBL4265039

SCHEMBL4265039

COc1ccc(CC#Cc2cncc(-c3nnn(Cc4ccc(C(=O)O)cc4)n3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.55
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGER4 P35408 1/20 0.41
CHEK1 O14757 1/20 0.41
POLB P06746 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
SCHEMBL4270813 0.89 RAB9A (0.55) MMP13NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4260059 0.88 MMP13 (0.52) MMP13NPC1RAB9ATHRBSMN1; SMN2
SCHEMBL4260396 0.79 MMP13 (0.53) MMP13NPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL4262534 0.79 THRB (0.47) MMP13THRBSMN1; SMN2HDAC6LMNA
SCHEMBL4262326 0.77 SMN1; SMN2 (0.66) MMP13NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4255021 0.75 MMP13 (0.69) MMP13NPC1RAB9AL3MBTL1THRB
SCHEMBL4263428 0.75 SMN1; SMN2 (0.56) MMP13NPC1RAB9ATHRBSMN1; SMN2
SCHEMBL4263436 0.75 MMP13 (0.78) MMP13NPC1RAB9AL3MBTL1THRB
SCHEMBL4262837 0.73 MMP13 (0.69) MMP13NPC1RAB9AL3MBTL1THRB
SCHEMBL4259099 0.72 MMP13 (0.76) MMP13NPC1RAB9AL3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US claimed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP claimed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 US claimed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 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 (3 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 MMP13 8/4885NPC1 1536/4885RAB9A 919/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 MMP13 1/4885NPC1 3853/4885RAB9A 3127/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 MMP13 1/4885NPC1 1391/4885RAB9A 413/4885

“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.