SCHEMBL1611472

SCHEMBL1611472

COC(=O)c1nc(C2CC2)nc(NC2(C=Cc3ccc(F)cc3)CC2)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.33
PTPN1 P18031 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PKM P14618 1/20 0.32
NOS3 P29474 3/20 0.31
NOS1 P29475 3/20 0.31

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
SCHEMBL12713075 1.00 NOS2 (0.33) NOS2PTPN1SLC6A4SLC6A3PKM
SCHEMBL1609934 0.92 SLC6A3 (0.35) NOS2PTPN1SLC6A3PKMNOS3
SCHEMBL1609935 0.92 SLC6A3 (0.35) NOS2PTPN1SLC6A3PKMNOS3
SCHEMBL1610318 0.91 ALDH1A1 (0.33) PTPN1
SCHEMBL1610320 0.91 ALDH1A1 (0.33) PTPN1
SCHEMBL12713074 0.90 PDE10A (0.35) PTPN1SLC6A3
SCHEMBL1610775 0.90 PDE10A (0.35) PTPN1SLC6A3
SCHEMBL1610312 0.90 PDE10A (0.35) PTPN1SLC6A3
SCHEMBL1610532 0.87 POLB (0.31)
SCHEMBL1610535 0.87 POLB (0.31)

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 NOS2 203/4885PTPN1 366/4885SLC6A4 2264/4885

“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.