SCHEMBL3615409

SCHEMBL3615409

Cc1ncsc1CN(C(=O)O)c1nc(CC(=O)NO)cs1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.42
PDE1A P54750 6/20 0.41
PDE1B Q01064 6/20 0.41
PDE1C Q14123 6/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3613733 0.90 PDE5A (0.39) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3602128 0.76 PDE5A (0.43) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3604375 0.74 PDE5A (0.44) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3611539 0.74 HDAC1 (0.50) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3609752 0.74 PDE5A (0.43) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3600139 0.73 GSTO1 (0.52) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8248449 0.71 PDE5A (0.53) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3603075 0.70 PDE5A (0.45) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3599486 0.70 HDAC1 (0.42) PDE5APDE1APDE1BPDE1C
SCHEMBL1758697 0.69 PDE5A (0.40) PDE5APDE1APDE1BPDE1CKDM4E

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-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.