SCHEMBL7959546

SCHEMBL7959546

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(CCC(=O)O)ccc3OCC)nc12

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.73
PDE6C P51160 2/20 0.73
HDAC6 Q9UBN7 13/20 0.73
HDAC1 Q13547 11/20 0.73
HDAC2 Q92769 6/20 0.71
HDAC3 O15379 2/20 0.71
NCOR2 Q9Y618 2/20 0.71
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 1/20 0.68
HPGD P15428 1/20 0.68
PDE1A P54750 1/20 0.68
PDE1B Q01064 1/20 0.68
PDE1C Q14123 1/20 0.68
PDE3A Q14432 2/20 0.68
KDM4E B2RXH2 1/20 0.65

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
SCHEMBL18715297 0.92 PDE5A (0.72) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL17390172 0.92 PDE5A (0.76) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7950384 0.91 PDE5A (0.71) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL17390111 0.91 PDE5A (0.71) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL16003765 0.91 PDE5A (0.89) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL18715171 0.89 PDE5A (0.75) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL17404875 0.88 PDE5A (0.81) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL17390214 0.87 PDE5A (0.84) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL17390105 0.87 PDE5A (0.74) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7950642 0.87 KMT2A (0.71) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961741-B1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUND PARA LA INVESTIG MEDICA APLICADA (ES) 2017-04-05 EP disclosed
US-9573956-B2 Compounds as dual inhibitors of phosphodiesterases and histone deacetylases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-02-21 US disclosed
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-01-07 US disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0526004-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1997-10-08 EP disclosed
US-5426107-A Treatment of cardiovascular disorders, asthma, allergies PFIZER INC. (US) 1995-06-20 US disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP 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-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES PDE1A, HDAC1, HDAC2 PDE5A 24/4885PDE6C 236/4885HDAC6 12/4885

“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.