SCHEMBL445096

SCHEMBL445096

O=[N+]([O-])c1ccc2c(O)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
DAO P14920 1/20 0.50
CYP3A4 P08684 2/20 0.49
NOS1 P29475 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
PARP1 P09874 1/20 0.47
MAP2K7 O14733 1/20 0.47
NAMPT P43490 1/20 0.46
XDH P47989 1/20 0.46
POLB P06746 2/20 0.45
MAOB P27338 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
NPBWR1 P48145 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
SCHEMBL1573803 0.87 MAPT (0.61) MAPTHPGDCYP3A4NOS1LMNA
SCHEMBL30833662 0.81 DAO (0.51) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL921416 0.81 DAO (0.51) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL29431208 0.81 JAK2 (0.51) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL2931498 0.81 JAK2 (0.51) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL8597936 0.81 MAP2K7 (0.48) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL588431 0.80 PARP1 (0.51) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL2595091 0.80 MAPT (0.50) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL29395331 0.80 MAPT (0.50) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL1176140 0.80 MAPT (0.50) MAPTHPGDDAOCYP3A4NOS1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-7968719-B2 Indazole derivatives as inhibitors of hormone sensitive lipase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
EP-1713779-B1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE-SENSITIVE LIPASES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-04-13 EP disclosed
US-20090215824-A1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE SENSITIVE LIPASE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-27 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7528155-B2 Indazole derivatives as inhibitors of hormone sensitive lipase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-05 US disclosed
US-20050197348-A1 Indazole derivatives as inhibitors of hormone sensitive lipase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-08 US disclosed
US-5583152-A Use of N-(4-(5-(cyclopentyloxycarbonyl)amino-1-methylindol-3-ylmethyl)-3 -methoxybenzoyl)-2-methyl-benzenesulphonamide, zafirlukast; allergic asthma, inflammatory diseases, endotoxic conditions or traumatic shock ZENECA INC. (US) 1996-12-10 US disclosed
US-5440035-A Leukotriene antagonists; antiallergens, antiinflammatory agents ZENECA INC. (GB) 1995-08-08 US disclosed
US-5391758-A Leukotriene antagonists ZENECA, INC. (US) 1995-02-21 US disclosed
US-5338734-A Leukotriene antagonist properties; antiinflammatory agents ZENECA INC. (US) 1994-08-16 US disclosed
US-5179112-A Leukotriene antagonist as antiallergens and antiinflammatory agents ICI AMERICAS INC. (US) 1993-01-12 US disclosed
EP-0199543-B1 HETEROCYCLIC AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-12-04 EP disclosed
US-5030643-A Antiallergens, antiinflammatory agents ICI AMERICAS INC. (US) 1991-07-09 US disclosed
US-4859692-A Heterocyclic amide derivatives and pharmaceutical use ICI AMERICAS INC. (US) 1989-08-22 US disclosed
EP-0199543-A2 Heterocyclic amide derivatives ICI AMERICAS INC. (US) 1986-10-29 EP 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 (5 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885HPGD 125/4885DAO 427/4885
US-20090215824-A1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE SENSITIVE LIPASE LIPE, PNLIP, CEL MAPT 4206/4885HPGD 291/4885DAO 1183/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885HPGD 125/4885DAO 427/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 MAPT 3731/4885HPGD 250/4885DAO 319/4885
US-20050197348-A1 Indazole derivatives as inhibitors of hormone sensitive lipase LIPE, PNLIP, CEL MAPT 4206/4885HPGD 291/4885DAO 1183/4885

“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.