SCHEMBL4874200

SCHEMBL4874200

O=C(C(=NO)c1cccnc1)c1ccc(-n2ccc3cccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.39
HTT P42858 1/20 0.38
PARP1 P09874 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
ALDH1A1 P00352 2/20 0.35
AHR P35869 1/20 0.35
APP P05067 1/20 0.35
GAA P10253 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SARM1 Q6SZW1 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34

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
SCHEMBL4874193 1.00 SLC22A12 (0.39) SLC22A12HTTPARP1SLC22A6ABCG2
SCHEMBL14194771 1.00 SLC22A12 (0.39) SLC22A12HTTPARP1SLC22A6ABCG2
SCHEMBL4854568 0.87 SLC22A12 (0.38) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL4854578 0.87 SLC22A12 (0.38) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL8228696 0.87 SLC22A12 (0.38) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL4874439 0.80 HDAC3 (0.38) PARP1GAA
SCHEMBL4874478 0.80 HDAC3 (0.38) PARP1GAA
SCHEMBL14194766 0.80 HDAC3 (0.38) PARP1GAA
SCHEMBL4875422 0.79 SLC22A12 (0.37) SLC22A12HTTPARP1CDC7CDK2
SCHEMBL4875430 0.79 SLC22A12 (0.37) SLC22A12HTTPARP1CDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 SLC22A12 2601/4885HTT 2529/4885PARP1 2349/4885

“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.