SCHEMBL4266327

SCHEMBL4266327

COc1ccc(-c2cnc(-c3cccc(-c4nnc(-c5ccc(C(=O)O)cc5)o4)c3)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
KMT2A Q03164 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CSNK2A1 P68400 1/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PTPN1 P18031 4/20 0.53
LMNA P02545 3/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
CASP3 P42574 1/20 0.52

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
SCHEMBL4261704 0.90 ALDH1A1 (0.55) NPC1RAB9AKMT2ACSNK2A2CSNK2A1
SCHEMBL4882367 0.89 KDM4E (0.58) NPC1RAB9ACSNK2A2CSNK2A1KDM4E
SCHEMBL4265637 0.88 RAB9A (0.57) RAB9ACSNK2A2CSNK2A1KDM4EALDH1A1
SCHEMBL4257919 0.88 SMN1; SMN2 (0.58) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4262942 0.85 MAP4K4 (0.60) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL12796857 0.85 PPARD (0.54) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4262595 0.83 MMP13 (0.63) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL12171734 0.82 NPC1 (0.66) NPC1RAB9AKMT2ACSNK2A2CSNK2A1
SCHEMBL12171917 0.82 NPC1 (0.66) NPC1RAB9AKMT2ACSNK2A2CSNK2A1
SCHEMBL12798151 0.82 CSNK2A2 (0.73) NPC1RAB9AKMT2ACSNK2A2CSNK2A1

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 9 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
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-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 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 919/4885KMT2A 467/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 NPC1 1391/4885RAB9A 413/4885KMT2A 3147/4885

“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.