SCHEMBL13069830

SCHEMBL13069830

CCCc1cnncc1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30
TOP2A P11388 1/20 0.30

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
SCHEMBL9288133 0.79
SCHEMBL2896436 0.77
SCHEMBL873728 0.70 CYP2E1 (0.49) NOS2CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL24250240 0.70 SLC6A2 (0.41) NOS2NOS3NOS1CYP2A6
SCHEMBL13654965 0.70
SCHEMBL17772009 0.70 CYP2E1 (0.45) NOS2NOS1CYP2E1CYP2C8CYP2D6
SCHEMBL19413769 0.70 UHRF1 (0.45) NOS2NOS3NOS1CYP2A6
SCHEMBL21983980 0.69
SCHEMBL13844519 0.68 GABRA1 (0.37) NOS2NOS3NOS1
SCHEMBL13028890 0.68 NUDT1 (0.32)

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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 NOS2 2029/4885NOS3 2133/4885NOS1 1606/4885

“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.