SCHEMBL5133300

SCHEMBL5133300

CCCCCc1ccc2[nH]c(=O)oc(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 10/20 0.51
▸ MAOB P27338 10/20 0.51
▸ ACHE P22303 2/20 0.48
▸ CTSV O60911 3/20 0.45
▸ CTSL P07711 3/20 0.45
▸ F2 P00734 1/20 0.45
▸ CFD P00746 1/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ GHSR Q92847 3/20 0.42
▸ MAPT P10636 1/20 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
SCHEMBL11253845 0.96 MAOA (0.52) MAOAMAOBACHECTSVCTSL
SCHEMBL10342823 0.90 MAOA (0.54) MAOAMAOBACHEF2CFD
SCHEMBL10343133 0.84 F2 (0.46) MAOAMAOBACHECTSVCTSL
SCHEMBL10342820 0.83 MAOA (0.57) MAOAMAOBACHEF2CFD
SCHEMBL175901 0.82 NOS1 (0.53) CTSVCTSLHTR1AMAPT
SCHEMBL31118759 0.80 MAOA (0.56) MAOAMAOBACHEF2CFD
SCHEMBL25914584 0.80 MAOA (0.56) MAOAMAOBACHEF2CFD
SCHEMBL532789 0.80 HTR1A (0.55) ACHECTSVCTSLHTR1AHTR1D
SCHEMBL5491863 0.79 NOS1 (0.53) CTSVCTSLMAPT
SCHEMBL12795553 0.78 HTR1A (0.57) ACHECTSVCTSLHTR1AHTR1D

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
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
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 MAOA 887/4885MAOB 1091/4885ACHE 175/4885

“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.

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