SCHEMBL7129411

SCHEMBL7129411

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NOS2 P35228 10/20 0.41
P2RY12 Q9H244 4/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
ACACB O00763 1/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7129416 0.89 NOS2 (0.46) MAPTNOS2P2RY12
SCHEMBL5193373 0.88 NOS2 (0.44) MAPTNOS2LMNA
SCHEMBL6301303 0.85 ACACB (0.41) NOS2ACACB
SCHEMBL5194986 0.82 NOS2 (0.44) NOS2
SCHEMBL5193378 0.78 NOS2 (0.48) NOS2
SCHEMBL5192683 0.77 NOS2 (0.55) NOS2
SCHEMBL5190133 0.77 NOS2 (0.58) NOS2
SCHEMBL5195253 0.77 NOS2 (0.53) NOS2
SCHEMBL5192601 0.77 NOS2 (0.47) NOS2
SCHEMBL5192801 0.76 NOS2 (0.57) 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 MAPT 3264/4885NOS2 2/4885P2RY12 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.