SCHEMBL4270813

SCHEMBL4270813

O=C(O)c1ccc(Cn2nnc(-c3cncc(C#CCc4ccccc4)c3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
MMP13 P45452 9/20 0.48
HDAC6 Q9UBN7 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 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
SCHEMBL4260059 0.92 MMP13 (0.52) RAB9ASMN1; SMN2NPC1MMP13HDAC6
SCHEMBL4265039 0.89 MMP13 (0.55) RAB9ASMN1; SMN2NPC1MMP13HDAC6
SCHEMBL4262326 0.88 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2NPC1MMP13HDAC6
SCHEMBL4260396 0.83 MMP13 (0.53) RAB9ASMN1; SMN2NPC1MMP13HDAC6
SCHEMBL6188334 0.82 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2NPC1MMP13HDAC6
SCHEMBL4263428 0.81 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1MMP13HDAC6
SCHEMBL4254996 0.79 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1MMP13HDAC6
SCHEMBL4262534 0.79 THRB (0.47) SMN1; SMN2MMP13HDAC6LMNAPOLB
SCHEMBL4256694 0.78 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1MMP13HDAC6
SCHEMBL4265647 0.75 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1HDAC6L3MBTL1

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 5 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
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP 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 (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 RAB9A 919/4885SMN1; SMN2 2194/4885NPC1 1536/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 RAB9A 413/4885SMN1; 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.