SCHEMBL3846167

SCHEMBL3846167

CCCc1nn(C)c2c(=O)[nH]c(CC)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.61
MTOR P42345 1/20 0.56
KMT2A Q03164 2/20 0.56
PDE1A P54750 2/20 0.56
PDE1B Q01064 2/20 0.56
PDE1C Q14123 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TERT O14746 2/20 0.52
PDE3B Q13370 3/20 0.50
PDE3A Q14432 3/20 0.50
PDE6C P51160 2/20 0.47
KDM4E B2RXH2 1/20 0.44
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 1/20 0.42
PDE2A O00408 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCC5 O15440 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
SCHEMBL7094172 0.93 PDE5A (0.62) PDE5AMTORKMT2APDE1APDE1B
SCHEMBL31607170 0.86 PDE5A (0.56) PDE5AMTORKMT2APDE1APDE1B
SCHEMBL3838889 0.84 PDE5A (0.44) PDE5AMTORKMT2APDE1APDE1B
SCHEMBL3845619 0.84 PDE5A (0.62) PDE5AMTORKMT2APDE1APDE1B
SCHEMBL3127667 0.82 PDE5A (0.61) PDE5AMTORKMT2APDE1APDE1B
SCHEMBL7094075 0.82 PDE5A (0.67) PDE5AMTORKMT2APDE1APDE1B
SCHEMBL7306306 0.80 PDE5A (0.56) PDE5AMTORKMT2APDE1APDE1B
SCHEMBL7309086 0.80 PDE5A (0.56) PDE5AMTORKMT2APDE1APDE1B
SCHEMBL7309369 0.80 PDE5A (0.57) PDE5AMTORKMT2APDE1APDE1B
SCHEMBL7313119 0.80 PDE5A (0.56) PDE5AMTORKMT2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1793828-A4 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY REDDYS LAB LTD DR (IN) 2009-09-02 EP disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
EP-1793828-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP disclosed
WO-2006029075-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY DR. REDDY'S LABORATORIES LTD. (IN) 2006-03-16 WO disclosed
US-20050096331-A1 Novel compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2005-05-05 US disclosed
EP-1363914-A1 ARYL SUBSTITUTED ALKYLCARBOXYLIC ACIDS AS HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Laboratories Ltd. (IN) 2003-11-26 EP disclosed
WO-2003053974-A1 NOVEL COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-07-03 WO disclosed
US-6444816-B1 DIETETICS, ANTICHOLESTEROL AGENTS, ANTIDIABETIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-09-03 US disclosed
WO-2002062799-A1 ARYL SUBSTITUTED ALKYLCARBOXYLIC ACIDS AS HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2002-08-15 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 (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-20050096331-A1 Novel compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, CETP PDE5A 1562/4885MTOR 598/4885KMT2A 4570/4885
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity PPARA, PPARD, PPARG PDE5A 1657/4885MTOR 1645/4885KMT2A 1337/4885

“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.