SCHEMBL4254996

SCHEMBL4254996

O=C(O)c1ccc(Cn2nnc(-c3cccc(C#CCCc4ccccc4)c3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
HDAC6 Q9UBN7 3/20 0.55
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MMP13 P45452 7/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.47
AOC3 Q16853 1/20 0.46

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
SCHEMBL4262326 0.91 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1
SCHEMBL4256694 0.88 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1
SCHEMBL4263428 0.84 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1
SCHEMBL4262801 0.84 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1
SCHEMBL4261846 0.82 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1
SCHEMBL4259918 0.81 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1
SCHEMBL4262825 0.80 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1
SCHEMBL4263359 0.80 MMP13 (0.55) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1
SCHEMBL4263454 0.80 MMP13 (0.54) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1
SCHEMBL6190700 0.80 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1HDAC6ALDH1A1

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 3 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-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 SMN1; SMN2 2194/4885RAB9A 919/4885NPC1 1536/4885
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.