SCHEMBL15071441

SCHEMBL15071441

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(CN4C[C@@H](C)N[C@@H](C)C4)ccc3OCC)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.67
PDE6C P51160 4/20 0.63
HDAC6 Q9UBN7 8/20 0.63
HDAC1 Q13547 6/20 0.63
PDE3A Q14432 3/20 0.63
KMT2A Q03164 2/20 0.63
PDE1A P54750 2/20 0.63
PDE1B Q01064 2/20 0.63
PDE1C Q14123 2/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
HDAC2 Q92769 3/20 0.62
HDAC3 O15379 2/20 0.62
NCOR2 Q9Y618 2/20 0.62
KDM4E B2RXH2 1/20 0.61
PDE2A O00408 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCC5 O15440 1/20 0.60
PDE6D O43924 1/20 0.60

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
SCHEMBL19181253 0.90 PDE5A (0.75) PDE5APDE6CHDAC6HDAC1PDE3A
SCHEMBL681658 0.88 PDE5A (0.71) PDE5APDE6CHDAC6HDAC1PDE3A
SCHEMBL19181375 0.88 PDE5A (0.72) PDE5APDE6CHDAC6HDAC1PDE3A
SCHEMBL17390180 0.87 PDE5A (0.72) PDE5APDE6CHDAC6HDAC1PDE3A
SCHEMBL16003778 0.87 PDE5A (0.89) PDE5APDE6CHDAC6HDAC1PDE3A
SCHEMBL25013467 0.86 PDE5A (0.77) PDE5APDE6CHDAC6HDAC1PDE3A
SCHEMBL18715171 0.85 PDE5A (0.75) PDE5APDE6CHDAC6HDAC1PDE3A
SCHEMBL15423769 0.85 PDE5A (0.68) PDE5APDE6CHDAC6HDAC1PDE3A
SCHEMBL25925219 0.85 PDE5A (0.62) PDE5APDE6CHDAC6HDAC1PDE3A
SCHEMBL17390127 0.84 PDE5A (0.75) PDE5APDE6CHDAC6HDAC1PDE3A

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-9663439-B2 Aildenafil citrate crystal form O, preparation method and use thereof HONG KONG GOLDEN WISDOM MEDICAL PRODUCTION LIMITED (HK) 2017-05-30 US disclosed
US-20130165448-A1 AILDENAFIL CITRATE CRYSTAL FORM O, PREPARATION METHOD AND USE THEREOF HONG KONG GOLDEN WISDOM MEDICAL PRODUCTION LIMITED (HK) 2013-06-27 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-20130165448-A1 AILDENAFIL CITRATE CRYSTAL FORM O, PREPARATION METHOD AND USE THEREOF PDE5A, PDE3A, PDE3B PDE5A 1/4885PDE6C 91/4885HDAC6 1167/4885

“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.