SCHEMBL4265054

SCHEMBL4265054

O=C(O)c1ccc(Cn2nnc(-c3cccc(I)c3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
HDAC6 Q9UBN7 3/20 0.66
MMP13 P45452 10/20 0.58
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.50

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
SCHEMBL4255014 0.83 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL4256694 0.82 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL27628808 0.81 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL4256535 0.81 RAB9A (0.67) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL30395910 0.80 HDAC6 (1.00) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL20535167 0.80 HDAC6 (1.00) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL4262326 0.78 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL14589086 0.78 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL14589085 0.78 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL8849222 0.78 HDAC6 (0.60) SMN1; SMN2RAB9ANPC1HDAC6MMP13

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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
CN-100379415-C Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2008-04-09 CN 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
CN-1674892-A Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-09-28 CN disclosed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 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
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 SMN1; SMN2 2194/4885RAB9A 919/4885NPC1 1536/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 SMN1; SMN2 1184/4885RAB9A 3127/4885NPC1 3853/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 SMN1; SMN2 1617/4885RAB9A 413/4885NPC1 1391/4885

“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.