SCHEMBL521804

SCHEMBL521804

Cc1cc(CN)nc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.48
NOS3 P29474 7/20 0.48
NOS1 P29475 7/20 0.45

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
SCHEMBL943293 0.87 NOS2 (0.50) NOS2NOS3NOS1
SCHEMBL15259149 0.85 NOS2 (0.69) NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL17048489 0.85 NOS2 (0.48) NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL18489365 0.85 NOS2 (0.48) NOS2NOS3NOS1
SCHEMBL18489405 0.79 NOS2 (0.37) NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL18489417 0.77 NOS2 (0.36) NOS2NOS3NOS1
SCHEMBL18501663 0.77 NOS2 (0.39) NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL18492933 0.76 NOS2 (0.38) NOS2NOS3NOS1
SCHEMBL6464978 0.74 NOS2 (0.70) NOS2NOS3NOS1
SCHEMBL9637847 0.74 KCNH2 (0.37) NOS2NOS3

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
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 NOS2 353/4885NOS3 707/4885NOS1 202/4885

“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.