SCHEMBL4264142

SCHEMBL4264142

O=C(O)c1ccc(-c2cnc(-c3cccc(-c4ncc(-c5ccc(Cl)cc5)o4)c3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.64
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
GLA P06280 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58
CASP3 P42574 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SENP8 Q96LD8 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL4262942 0.94 MAP4K4 (0.60) MAP4K4RAB9ANPC1GAAKDM4E
SCHEMBL12172059 0.90 MAP4K4 (0.76) MAP4K4RAB9ANPC1GAAKDM4E
SCHEMBL7221308 0.90 MAP4K4 (0.76) MAP4K4RAB9ANPC1GAAKDM4E
SCHEMBL4256702 0.90 MAP4K4 (0.53) MAP4K4RAB9ANPC1GAAKDM4E
SCHEMBL4262957 0.90 MAP4K4 (0.53) MAP4K4RAB9ANPC1GAAKDM4E
SCHEMBL12171469 0.87 RAB9A (0.58) MAP4K4RAB9ANPC1GAAKDM4E
SCHEMBL4256179 0.86 MAP4K4 (0.49) MAP4K4RAB9ANPC1GAAKDM4E
SCHEMBL4256810 0.85 MMP13 (0.55) MAP4K4RAB9ANPC1KDM4EALDH1A1
SCHEMBL12887894 0.84 RAB9A (0.78) MAP4K4RAB9ANPC1GAAKDM4E
SCHEMBL4266392 0.83 HDAC6 (0.46) MAP4K4RAB9ANPC1GAAKDM4E

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 MAP4K4 4280/4885RAB9A 919/4885NPC1 1536/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 MAP4K4 4313/4885RAB9A 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.