SCHEMBL5133044

SCHEMBL5133044

CCCCCc1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.73
MAOA P21397 8/20 0.73
TGM2 P21980 5/20 0.63
ALDH1A1 P00352 1/20 0.47
CES1 P23141 3/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 2/20 0.43
CAPN9 O14815 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
SCHEMBL5323142 0.98 MAOB (0.71) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL9096300 0.98 MAOB (0.71) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL9112917 0.98 MAOB (0.71) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL3742475 0.95 MAOB (0.70) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL7377143 0.89 TGM2 (0.69) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL8671077 0.85 MAOB (0.83) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL16112078 0.83 MAOB (0.70) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL17274921 0.82 MAOB (0.65) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL2246979 0.82 TGM2 (0.73) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL28797509 0.80 MAOB (0.59) MAOBMAOATGM2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578757-B1 FLUOROGENIC ENZYME SUBSTRATES AND METHODS OF PREPARATION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2014-10-22 EP disclosed
EP-1578757-B1 FLUOROGENIC ENZYME SUBSTRATES AND METHODS OF PREPARATION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2014-10-22 EP disclosed
US-7863428-B2 Fluorogenic enzyme substrates and methods of preparation TIBOTEC BVBA (BE) 2011-01-04 US disclosed
US-7863428-B2 Fluorogenic enzyme substrates and methods of preparation TIBOTEC BVBA (BE) 2011-01-04 US disclosed
US-7863428-B2 Fluorogenic enzyme substrates and methods of preparation TIBOTEC BVBA (BE) 2011-01-04 US disclosed
CN-100558738-C Fluorogenic substrate of enzyme and preparation method thereof TIBOTEC BVBA (BE) 2009-11-11 CN disclosed
WO-2007132280-A1 ISATIN AND ITS DERIVATIVES FOR USE AS A MEDICAMENT Szegedi Tudományegyetem (HU) 2007-11-22 WO disclosed
US-20070037234-A1 fluorophores containing 2-(3H-4-oxo-6-n-pentyl-2-quinazolinyl)-4-n-pentylphenyl phosphate; hydrolases; improved cell permeability; photostability TIBOTEC BVBA (BE) 2007-02-15 US disclosed
US-20070037234-A1 fluorophores containing 2-(3H-4-oxo-6-n-pentyl-2-quinazolinyl)-4-n-pentylphenyl phosphate; hydrolases; improved cell permeability; photostability TIBOTEC BVBA (BE) 2007-02-15 US disclosed
US-20070037234-A1 fluorophores containing 2-(3H-4-oxo-6-n-pentyl-2-quinazolinyl)-4-n-pentylphenyl phosphate; hydrolases; improved cell permeability; photostability TIBOTEC BVBA (BE) 2007-02-15 US disclosed
CN-1732180-A Fluorogenic enzyme substrates and methods of preparation TIBOTEC BVBA (BE) 2006-02-08 CN disclosed
EP-1578757-A2 FLUOROGENIC ENZYME SUBSTRATES AND METHODS OF PREPARATION Tibotec BVBA (BE) 2005-09-28 EP disclosed
WO-2004058787-A2 FLUOROGENIC ENZYME SUBSTRATES AND METHODS OF PREPARATION TIBOTEC BVBA (BE) 2004-07-15 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 (1 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-20070037234-A1 fluorophores containing 2-(3H-4-oxo-6-n-pentyl-2-quinazolinyl)-4-n-pentylphenyl phosphate; hydrolases; improved cell permeability; photostability DNPEP, HEXD, NPEPPS MAOB 1091/4885MAOA 887/4885TGM2 606/4885

“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.