SCHEMBL17404875

SCHEMBL17404875

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

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.81
HDAC6 Q9UBN7 16/20 0.81
HDAC1 Q13547 14/20 0.81
HDAC2 Q92769 8/20 0.74
HDAC3 O15379 2/20 0.74
NCOR2 Q9Y618 2/20 0.74
PDE3A Q14432 2/20 0.70
PDE6C P51160 2/20 0.70

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
SCHEMBL16003765 0.95 PDE5A (0.89) PDE5AHDAC6HDAC1HDAC2HDAC3
SCHEMBL16003678 0.91 PDE5A (0.92) PDE5AHDAC6HDAC1HDAC2HDAC3
SCHEMBL16003770 0.91 PDE5A (0.90) PDE5AHDAC6HDAC1HDAC2HDAC3
SCHEMBL17404872 0.89 PDE5A (1.00) PDE5AHDAC6HDAC1HDAC2HDAC3
SCHEMBL7959546 0.88 PDE5A (0.73) PDE5AHDAC6HDAC1HDAC2HDAC3
SCHEMBL16003784 0.87 PDE5A (1.00) PDE5AHDAC6HDAC1HDAC2HDAC3
SCHEMBL18715297 0.87 PDE5A (0.72) PDE5AHDAC6HDAC1HDAC2HDAC3
SCHEMBL7950642 0.87 KMT2A (0.71) PDE5AHDAC6HDAC1HDAC2HDAC3
SCHEMBL16003780 0.86 PDE5A (1.00) PDE5AHDAC6HDAC1HDAC2HDAC3
SCHEMBL7950384 0.86 PDE5A (0.71) PDE5AHDAC6HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.