SCHEMBL4263359

SCHEMBL4263359

O=C(O)c1ccc(Cn2nnc(-c3cccc(C#CCn4ccnc4)c3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HDAC6 Q9UBN7 3/20 0.51
CYP19A1 P11511 1/20 0.44
TBXAS1 P24557 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4260396 0.89 MMP13 (0.53) MMP13SMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4261846 0.87 SMN1; SMN2 (0.53) MMP13SMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4259918 0.85 SMN1; SMN2 (0.53) MMP13SMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4256553 0.85 MMP13 (0.54) MMP13CYP19A1TBXAS1LMNA
SCHEMBL4262326 0.83 SMN1; SMN2 (0.66) MMP13SMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4256694 0.82 SMN1; SMN2 (0.68) MMP13SMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4262801 0.80 SMN1; SMN2 (0.56) MMP13SMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4263428 0.80 SMN1; SMN2 (0.56) MMP13SMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4254996 0.80 SMN1; SMN2 (0.62) MMP13SMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4263454 0.76 MMP13 (0.54) MMP13SMN1; SMN2NPC1RAB9AHDAC6

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 6 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
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
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
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 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 (2 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 8/4885SMN1; SMN2 2194/4885NPC1 1536/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 MMP13 1/4885SMN1; SMN2 1617/4885NPC1 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.