SCHEMBL4595166

SCHEMBL4595166

CCc1cc(CS)nc(CO)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDE4B Q07343 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
SCHEMBL4595410 0.77 NOS3 (0.32) NOS3NOS2
SCHEMBL4266118 0.73 CCR1 (0.40)
SCHEMBL12228994 0.73 NOS3 (0.44) NOS3NOS2
SCHEMBL4595165 0.72 NOS3 (0.32) NOS3NOS2
SCHEMBL11817989 0.71 MAPT (0.39) MAPTTDP1
SCHEMBL11825051 0.67 MAPT (0.36) MAPTTDP1
SCHEMBL5898465 0.67 NOS3 (0.40) NOS3NOS2MAPTPDE4B
SCHEMBL11829097 0.67 CASP1 (0.39) MAPTTDP1
SCHEMBL5352737 0.66 NOS3 (0.43) NOS3NOS2
SCHEMBL11819775 0.66 MAPT (0.34) MAPTTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871746-A1 SUBSTITUTED N-[YPYRIMIDIN-2-YLMETHYL]CARBOXAMIDES AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience Aktiengesellschaft (DE) 2008-01-02 EP disclosed
WO-2006105862-A1 SUBSTITUTED N-[PYRIMIDIN-2-YLMETHYL]CARBOXAMIDES AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2006-10-12 WO disclosed
US-20060223708-A1 Substituted N-[pyrimidin-2-ylmethyl]carboxamides and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2006-10-05 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-20060223708-A1 Substituted N-[pyrimidin-2-ylmethyl]carboxamides and their use as herbicides and plant growth regulators CNPY2, PRXL2A, CBR3 NOS3 1056/4885NOS2 482/4885MAPT 4780/4885

“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.