SCHEMBL4595407

SCHEMBL4595407

CCc1cc(C=S)nc(COC)n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL4595165 0.79 NOS3 (0.32) NOS3NOS2
SCHEMBL4594169 0.78 KDM4E (0.33)
SCHEMBL4595410 0.74 NOS3 (0.32) NOS3NOS2
SCHEMBL4596233 0.74 ALDH1A1 (0.33) NOS3NOS2
SCHEMBL4594865 0.74 NOS3 (0.32) NOS3NOS2
SCHEMBL4271005 0.69 PKM (0.43)
SCHEMBL27718935 0.68 EDNRB (0.31)
SCHEMBL25986828 0.65 RXRA (0.34)
SCHEMBL24360038 0.63 ALDH1A1 (0.49) NOS3NOS2
SCHEMBL29952038 0.62 HTT (0.34)

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 482/4885

“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.