SCHEMBL8248231

SCHEMBL8248231

O=C(CCCCCNC(=O)Cc1csc(NC(=O)OCc2cccnc2)n1)NO

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.53
PDE1A P54750 2/20 0.53
PDE1B Q01064 2/20 0.53
PDE1C Q14123 2/20 0.53
FAAH O00519 1/20 0.46
CYP3A4 P08684 1/20 0.44
HDAC1 Q13547 6/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3610567 0.91 FAAH (0.47) PDE5APDE1APDE1BPDE1CFAAH
SCHEMBL13316922 0.89 PDE5A (0.52) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL8245297 0.89 PDE5A (0.54) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL13316921 0.85 PDE5A (0.48) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL8247970 0.82 PDE5A (0.44) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL8250466 0.82 HTT (0.47) PDE5APDE1APDE1BPDE1CCYP3A4
SCHEMBL8239311 0.81 PDE5A (0.50) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL3603106 0.81 ALDH1A1 (0.53) CYP3A4HDAC1HDAC2HDAC6HDAC3
SCHEMBL13316920 0.81 PDE5A (0.52) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL13316916 0.79 PDE5A (0.49) PDE5APDE1APDE1BPDE1CHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 PDE5A 258/4885PDE1A 3451/4885PDE1B 2853/4885

“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.