SCHEMBL21705157

SCHEMBL21705157

CCCc1cn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCOC(=O)CCCCCO[N+](=O)[O-])CC4)ccc3OCC)nc12

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.83
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL21682493 0.91 PDE5A (0.83) PDE5A
SCHEMBL22028304 0.91 PDE5A (1.00) PDE5A
SCHEMBL20568425 0.91 PDE5A (1.00) PDE5A
SCHEMBL21682533 0.89 PDE5A (0.95) PDE5AHDAC1HDAC2HDAC6
SCHEMBL20567811 0.87 PDE5A (1.00) PDE5A
SCHEMBL6501252 0.87 PDE5A (0.80) PDE5AHDAC1HDAC2HDAC6
SCHEMBL20568085 0.87 PDE5A (0.92) PDE5A
SCHEMBL31651389 0.87 PDE5A (0.92) PDE5A
Citric Acid SCHEMBL21682596 0.86 PDE5A (0.73) PDE5A
Sulfuric Acid SCHEMBL7012672 0.86 PDE5A (0.78) PDE5AHDAC1HDAC2HDAC6

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-20210322413-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR NICOX S.A. (FR) 2021-10-21 — — US disclosed
WO-2020030489-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR NICOX S.A. (FR) 2020-02-13 — — 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-20210322413-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR PDE5A, PDE6A, PDE3A PDE5A 1/4885HDAC1 1298/4885HDAC2 1346/4885

“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.

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