SCHEMBL18069562

SCHEMBL18069562

CCCc1nn(C)c2c(=O)nc(-c3cc(C(=O)CN4CCN(CCO)CC4)ccc3OCC)[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.65
PDE6C P51160 2/20 0.65
PDE3B Q13370 2/20 0.56
PDE3A Q14432 2/20 0.56
HDAC1 Q13547 10/20 0.48
HDAC6 Q9UBN7 9/20 0.48
HDAC2 Q92769 7/20 0.48
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
POLB P06746 1/20 0.46
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45

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 0.94 PDE5A (0.66) PDE5APDE6CPDE3BPDE3AHDAC1
SCHEMBL30917339 0.92 PDE5A (0.62) PDE5APDE6CPDE3BPDE3AHDAC1
SCHEMBL2032429 0.91 PDE5A (0.78) PDE5APDE6CPDE3BPDE3AHDAC1
SCHEMBL28482244 0.88 PDE5A (0.83) PDE5APDE6CPDE3BPDE3AHDAC1
SCHEMBL28473221 0.85 PDE5A (0.70) PDE5APDE6CPDE3BPDE3AHDAC1
SCHEMBL5964550 0.85 PDE5A (0.70) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL2032052 0.84 PDE5A (0.74) PDE5APDE6CHDAC1HDAC6HDAC2
Lodenafil SCHEMBL18416781 0.84 PDE5A (0.78) PDE5APDE6CPDE3BPDE3AHDAC1
SCHEMBL25013469 0.81 PDE5A (0.85) PDE5APDE6CPDE3BPDE3AHDAC1
SCHEMBL29357402 0.81 PDE5A (0.85) PDE5APDE6CPDE3BPDE3AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833456-B2 Treatment of erectile dysfunction and other indications STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2017-12-05 US disclosed
US-9833456-B2 Treatment of erectile dysfunction and other indications STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2017-12-05 US disclosed
US-20170027942-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2017-02-02 US disclosed
US-20170027942-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2017-02-02 US disclosed
US-9498482-B2 Treatment of erectile dysfunction and other indications STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2016-11-22 US disclosed
US-9498482-B2 Treatment of erectile dysfunction and other indications STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2016-11-22 US disclosed
US-20160263120-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2016-09-15 US disclosed
US-20160263120-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2016-09-15 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 (2 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-20160263120-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS PDE5A, PDE3A, PDE12 PDE5A 1/4885PDE6C 21/4885PDE3B 5/4885
US-20170027942-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS PDE5A, PDE3A, PDE12 PDE5A 1/4885PDE6C 21/4885PDE3B 5/4885

“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.