SCHEMBL4263318

SCHEMBL4263318

O=C(O)c1ccc(Cn2nnc(-c3cccc(-c4ncc(-c5ccccc5)o4)c3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
HDAC6 Q9UBN7 3/20 0.57
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
MMP13 P45452 10/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL4256810 0.94 MMP13 (0.55) SMN1; SMN2RAB9ANPC1HDAC6CASP3
SCHEMBL4262595 0.91 MMP13 (0.63) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL4256535 0.87 RAB9A (0.67) SMN1; SMN2RAB9ANPC1HDAC6CASP3
SCHEMBL27628806 0.85 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1HDAC6CASP3
SCHEMBL4261125 0.83 RAB9A (0.45) SMN1; SMN2RAB9ANPC1HDAC6MMP13
SCHEMBL4256688 0.82 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1HDAC6CASP3
SCHEMBL4265054 0.78 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1HDAC6CASP3
SCHEMBL4264142 0.77 MAP4K4 (0.64) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL4256694 0.77 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1HDAC6CASP3
SCHEMBL6188334 0.76 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1HDAC6CASP3

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 7 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
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
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 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.