SCHEMBL7129416

SCHEMBL7129416

CCOc1ccc(CCNC(=O)CC2CN(C(=O)Nc3ccc(Cl)c(Cl)c3)CCN2c2nc(-n3ccnc3)ncc2C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 18/20 0.46
MAPT P10636 1/20 0.41
P2RY12 Q9H244 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
SCHEMBL5193378 0.89 NOS2 (0.48) NOS2
SCHEMBL7129411 0.89 MAPT (0.42) NOS2MAPTP2RY12
SCHEMBL6301305 0.86 NOS2 (0.51) NOS2
SCHEMBL5194988 0.81 NOS2 (0.57) NOS2
SCHEMBL5192683 0.81 NOS2 (0.55) NOS2
SCHEMBL5193373 0.79 NOS2 (0.44) NOS2MAPT
SCHEMBL7065948 0.77 NOS2 (0.60) NOS2
SCHEMBL5192271 0.77 NOS2 (0.48) NOS2
SCHEMBL6306990 0.77 NOS2 (0.58) NOS2
SCHEMBL5192621 0.77 NOS2 (0.66) NOS2

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-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-10 US claimed

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-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885MAPT 3264/4885P2RY12 4046/4885

“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.