SCHEMBL16003917

SCHEMBL16003917

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCCC(=O)NO)CC4)ccc3OCC)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
HDAC1 Q13547 5/20 1.00
HDAC6 Q9UBN7 5/20 1.00
HDAC2 Q92769 4/20 1.00
PDE3B Q13370 3/20 0.80
PDE3A Q14432 3/20 0.80
ABCC4 O15439 2/20 0.75
PDE2A O00408 1/20 0.75
ABCC5 O15440 1/20 0.75
PDE6D O43924 1/20 0.75
PDE8A O60658 1/20 0.75
PDE9A O76083 1/20 0.75
ABCB11 O95342 1/20 0.75
CYP3A4 P08684 1/20 0.75
HTR1A P08908 1/20 0.75
PDE6A P16499 1/20 0.75
PDE6G P18545 1/20 0.75
PDE4A P27815 1/20 0.75
ADORA2A P29274 1/20 0.75
ADORA1 P30542 1/20 0.75

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
SCHEMBL16003915 0.96 PDE5A (1.00) PDE5AHDAC1HDAC6HDAC2PDE3B
SCHEMBL17390175 0.90 PDE5A (0.85) PDE5AHDAC1HDAC6HDAC2PDE3B
SCHEMBL17404874 0.89 PDE5A (1.00) PDE5AHDAC1HDAC6HDAC2PDE3B
Lodenafil SCHEMBL31202790 0.89 PDE5A (1.00) PDE5AHDAC1HDAC6HDAC2PDE3B
Lodenafil SCHEMBL1058 0.89 PDE5A (1.00) PDE5AHDAC1HDAC6HDAC2PDE3B
SCHEMBL30848678 0.89 PDE5A (0.95) PDE5AHDAC1HDAC6HDAC2PDE3B
SCHEMBL17390250 0.88 PDE5A (0.83) PDE5AHDAC1HDAC6HDAC2PDE3B
SCHEMBL5010426 0.88 PDE5A (0.90) PDE5AHDAC1HDAC6HDAC2PDE3B
SCHEMBL17342850 0.88 PDE5A (1.00) PDE5AHDAC1HDAC6HDAC2PDE3B
SCHEMBL29358004 0.88 PDE5A (1.00) PDE5AHDAC1HDAC6HDAC2PDE3B

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 6 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-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-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-01-07 US disclosed
WO-2014131855-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2014-09-04 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-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES PDE1A, HDAC1, HDAC2 PDE5A 24/4885HDAC1 2/4885HDAC6 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.