SCHEMBL5165370

SCHEMBL5165370

Cc1nc(-c2cccc(OC(C(=O)O)c3ccccc3)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 5/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
S1PR3 Q99500 1/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.43
PPARA Q07869 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL14408263 0.90 L3MBTL1 (0.50) L3MBTL1TP53RAB9ALMNAHTT
SCHEMBL6807561 0.83 TP53 (0.63) L3MBTL1TP53RAB9ALMNAHTT
SCHEMBL6809066 0.81 TP53 (0.52) L3MBTL1TP53RAB9ALMNAHTT
SCHEMBL30817778 0.80 L3MBTL1 (0.62) L3MBTL1TP53RAB9ALMNAHTT
SCHEMBL29176858 0.80 L3MBTL1 (0.62) L3MBTL1TP53RAB9ALMNAHTT
SCHEMBL5165451 0.79 PPARG (0.52) L3MBTL1TP53RAB9ALMNAHTT
SCHEMBL6298117 0.78 F10 (0.56) TP53RAB9ALMNAHTTNPC1
SCHEMBL16481854 0.78 L3MBTL1 (0.64) L3MBTL1TP53RAB9ALMNAHTT
SCHEMBL783030 0.77 LMNA (0.65) L3MBTL1TP53RAB9ALMNAHTT
SCHEMBL5163327 0.77 F10 (0.42) L3MBTL1TP53RAB9ALMNAHTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
US-6946489-B2 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2005-09-20 US disclosed
US-20040220241-A1 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2004-11-04 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
EP-1268413-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO disclosed
WO-2001070678-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-27 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-20040220241-A1 Substituted biphenyl derivatives APOB, F2R, BDKRB1 L3MBTL1 1536/4885TP53 4809/4885RAB9A 2775/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 L3MBTL1 389/4885TP53 4035/4885RAB9A 2014/4885

“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.