SCHEMBL17390166

SCHEMBL17390166

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(O)c4ccc(C(=O)OC)cc4)ccc3OCC)nc12

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.84
HDAC6 Q9UBN7 12/20 0.84
HDAC1 Q13547 11/20 0.84
HDAC2 Q92769 8/20 0.84
PDE6C P51160 2/20 0.71
HDAC3 O15379 1/20 0.65
NCOR2 Q9Y618 1/20 0.65
KDM4E B2RXH2 1/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
PDE1A P54750 1/20 0.61
PDE1B Q01064 1/20 0.61
PDE1C Q14123 1/20 0.61

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
SCHEMBL17390169 0.92 PDE5A (0.71) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL16003767 0.92 PDE5A (1.00) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL17980850 0.91 PDE5A (0.83) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL17390189 0.87 PDE5A (0.84) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL25013454 0.86 PDE5A (0.74) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL17390197 0.84 PDE5A (0.84) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL16003749 0.84 PDE5A (1.00) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL17980849 0.84 PDE5A (0.83) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL30848755 0.84 PDE5A (0.71) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL15996104 0.83 PDE5A (0.83) PDE5AHDAC6HDAC1HDAC2PDE6C

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 3 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

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 24/4885HDAC6 12/4885HDAC1 2/4885

“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.