SCHEMBL4262831

SCHEMBL4262831

COc1ccc(Cn2nnc(-c3ccc(OC)c(Br)c3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HPGD P15428 1/20 0.50
MAPT P10636 3/20 0.49
MMP13 P45452 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LTA4H P09960 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 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
SCHEMBL4262586 0.84 NPC1 (0.61) NPC1RAB9AL3MBTL1HPGDMAPT
SCHEMBL13947013 0.82 MAPT (0.56) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL4263335 0.81 NPC1 (0.58) NPC1RAB9AL3MBTL1HPGDMAPT
SCHEMBL4262227 0.81 NPC1 (0.57) NPC1RAB9AL3MBTL1HPGDMAPT
SCHEMBL29353424 0.78 RAB9A (0.75) NPC1RAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL4269194 0.78 RAB9A (0.67) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL4269104 0.78 RAB9A (0.67) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL12172965 0.78 RAB9A (0.89) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL1628571 0.77 RAB9A (0.64) NPC1RAB9AL3MBTL1MAPTMMP13
SCHEMBL8169729 0.76 ACLY (0.48) NPC1RAB9AHPGDMAPTSMN1; SMN2

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.