SCHEMBL2032052

SCHEMBL2032052

CCCc1nn(C)c2c(=O)nc(-c3cc(C(C)=O)ccc3OCC)[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.74
PDE6C P51160 2/20 0.74
HDAC6 Q9UBN7 12/20 0.55
HDAC1 Q13547 11/20 0.55
HDAC2 Q92769 8/20 0.55
HDAC3 O15379 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL19518053 0.86 PDE5A (0.66) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7961020 0.85 PDE5A (1.00) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL29393046 0.84 KMT2A (0.62) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL22558019 0.84 KMT2A (0.62) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL31174348 0.84 PDE5A (0.55) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL2032429 0.84 PDE5A (0.78) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL18069562 0.84 PDE5A (0.65) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL28409645 0.83 KMT2A (0.75) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL4369284 0.83 KMT2A (0.62) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL29010393 0.82 KMT2A (0.61) PDE5APDE6CKMT2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943518-B2 Inhibitors of phosphodiesterase type 5A for reducing skeletal muscle fatigue, edema, and damage in a patient having muscle fatigue due to increased age or exercise UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2018-04-17 US disclosed
US-20160263118-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-09-15 US disclosed
US-9387210-B2 Inhibitors of phosphodiesterase type 5A for treating or preventing muscle disease or the symptoms thereof in a patient UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-07-12 US disclosed
US-20140005202-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2014-01-02 US disclosed
US-20110160219-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2011-06-30 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 (3 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-20110160219-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6C 21/4885HDAC6 727/4885
US-20160263118-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6C 21/4885HDAC6 727/4885
US-20140005202-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6C 21/4885HDAC6 727/4885

“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.