SCHEMBL9112917

SCHEMBL9112917

CCCCCCCCc1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.71
MAOA P21397 7/20 0.71
TGM2 P21980 5/20 0.61
ALDH1A1 P00352 1/20 0.46
CES1 P23141 3/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 1/20 0.42
KAT8 Q9H7Z6 2/20 0.42

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
SCHEMBL5323142 1.00 MAOB (0.71) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL9096300 1.00 MAOB (0.71) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL5133044 0.98 MAOB (0.73) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL3742475 0.94 MAOB (0.70) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL7377143 0.87 TGM2 (0.69) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL8671077 0.84 MAOB (0.83) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL16112078 0.81 MAOB (0.70) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL17274921 0.81 MAOB (0.65) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL2246979 0.80 TGM2 (0.73) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL29699238 0.80 KDM4E (0.48) MAOBMAOAALDH1A1KAT8

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-8877750-B2 2-oxy-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2014-11-04 US disclosed
US-8877750-B2 2-oxy-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2014-11-04 US disclosed
EP-1143977-B3 2-OXY-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY NORGINE BV (NL) 2012-10-24 EP disclosed
US-20110065697-A1 2-OXY-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY NORGINE B.V. (NL) 2011-03-17 US disclosed
US-20110065697-A1 2-OXY-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY NORGINE B.V. (NL) 2011-03-17 US disclosed
US-7858617-B2 2-hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one; inhibition of a lipase, esterase or phosphatase enzyme NORGINE B.V. (NL) 2010-12-28 US disclosed
US-7858617-B2 2-hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one; inhibition of a lipase, esterase or phosphatase enzyme NORGINE B.V. (NL) 2010-12-28 US disclosed
US-7825113-B2 An enzyme inhibitors, enzyme is to catalyse the hydrolysis of an ester; treating hyperlipaemia, hyperglycaemia (type II diabetes), hypertension, cardiovascular disorders stroke, gastrointestinal disease; chemical intermediate synthesis NORGINE B.V. (NL) 2010-11-02 US disclosed
US-7825113-B2 An enzyme inhibitors, enzyme is to catalyse the hydrolysis of an ester; treating hyperlipaemia, hyperglycaemia (type II diabetes), hypertension, cardiovascular disorders stroke, gastrointestinal disease; chemical intermediate synthesis NORGINE B.V. (NL) 2010-11-02 US disclosed
US-20080161301-A1 2-hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one; inhibition of a lipase, esterase or phosphatase enzyme ALIZYME THERAPEUTICS LIMITED (GB) 2008-07-03 US disclosed
US-20080161301-A1 2-hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one; inhibition of a lipase, esterase or phosphatase enzyme ALIZYME THERAPEUTICS LIMITED (GB) 2008-07-03 US disclosed
WO-1995013807-A1 INDOLO[2,1-b]QUINAZOLINE-6,12-DIONE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1995-05-26 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-20080161301-A1 2-hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one; inhibition of a lipase, esterase or phosphatase enzyme LPL, LIPE, PNLIP MAOB 354/4885MAOA 210/4885TGM2 2926/4885
US-20110065697-A1 2-OXY-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY CYP1B1, CYP4X1, ACOX1 MAOB 76/4885MAOA 102/4885TGM2 3343/4885

“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.