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SCHEMBL3842965

SCHEMBL3842965

CCCc1nn(C)c2c(=O)n(CCOc3cc(OC(C)(CC)C(=O)OC)ccc3Cl)c(C)nc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 15/20 0.38
▸ PDE6C P51160 2/20 0.38
▸ HDAC6 Q9UBN7 12/20 0.36
▸ HDAC1 Q13547 10/20 0.36
▸ HDAC2 Q92769 8/20 0.36
▸ HDAC3 O15379 2/20 0.34
▸ NCOR2 Q9Y618 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ EIF4EBP1 Q13541 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PDE3A Q14432 1/20 0.33

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
SCHEMBL3842964 1.00 PDE5A (0.38) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL3845740 1.00 PDE5A (0.38) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL4374838 0.92 PDE5A (0.38) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL3842801 0.92 PDE5A (0.38) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL14184581 0.92 PDE5A (0.38) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL3842226 0.88 PPARA (0.39) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL4916767 0.88 PPARA (0.39) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL3842581 0.88 PPARA (0.39) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL3841608 0.82 PPARA (0.45) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL4918197 0.80 PPARA (0.40) PDE5APDE6CHDAC6HDAC1HDAC2

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 4 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

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-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 1657/4885PDE6C 2915/4885HDAC6 2572/4885

“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.