SCHEMBL4262227

SCHEMBL4262227

COC(=O)c1cc(-c2nnn(Cc3ccc(OC)cc3)n2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.55
MMP13 P45452 3/20 0.55
POLB P06746 2/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
USP2 O75604 1/20 0.53
THRB P10828 1/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL4262586 0.90 NPC1 (0.61) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL4263335 0.90 NPC1 (0.58) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL13949677 0.88 MMP13 (0.64) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL4261701 0.83 MMP13 (0.61) MAPTMMP13POLBTP53THRB
SCHEMBL4262545 0.83 MMP13 (0.74) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL4266405 0.82 MMP13 (0.70) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL4270928 0.81 TP53 (0.65) MAPTMMP13POLBTP53
SCHEMBL4262831 0.81 NPC1 (0.63) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL3582974 0.79 ACLY (0.49) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL20534997 0.77 HDAC6 (0.72) NPC1RAB9AL3MBTL1MMP13HSD17B10

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 NPC1 1536/4885RAB9A 919/4885L3MBTL1 2837/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 NPC1 1391/4885RAB9A 413/4885L3MBTL1 2753/4885

“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.