SCHEMBL8399599

SCHEMBL8399599

NCOc1ccc(-c2cccc(N)n2)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 18/20 0.67
NOS3 P29474 17/20 0.67
NOS2 P35228 16/20 0.67
ASIC3 Q9UHC3 1/20 0.46
HTR1B P28222 1/20 0.38

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
SCHEMBL5833967 0.81 NOS1 (1.00) NOS1NOS3NOS2HTR1B
SCHEMBL5833873 0.80 NOS1 (0.88) NOS1NOS3NOS2HTR1B
SCHEMBL5833992 0.79 NOS1 (0.86) NOS1NOS3NOS2HTR1B
SCHEMBL5833200 0.79 NOS3 (0.61) NOS1NOS3NOS2
SCHEMBL5834017 0.78 NOS3 (1.00) NOS1NOS3NOS2
SCHEMBL5833741 0.78 NOS3 (0.63) NOS1NOS3NOS2
SCHEMBL5833697 0.78 NOS3 (0.76) NOS1NOS3NOS2
SCHEMBL5833909 0.77 NOS3 (0.98) NOS1NOS3NOS2
SCHEMBL5833522 0.77 NOS1 (0.78) NOS1NOS3NOS2HTR1B
SCHEMBL7082993 0.77 NOS1 (0.86) NOS1NOS3NOS2HTR1B

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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885NOS2 6/4885

“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.