SCHEMBL4596233

SCHEMBL4596233

CCc1cc(Cl)nc(COC)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
S1PR4 O95977 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3878733 0.84 S1PR4 (0.33) ALDH1A1MAPTS1PR4TDP1
SCHEMBL14612881 0.84 S1PR4 (0.31) ALDH1A1MAPTS1PR4
SCHEMBL22655937 0.82 NOS3 (0.38) ALDH1A1NOS3NOS2SMN1; SMN2
SCHEMBL4595410 0.78 NOS3 (0.32) NOS3NOS2
SCHEMBL4594865 0.78 NOS3 (0.32) ALDH1A1MAPTNOS3NOS2TDP1
SCHEMBL18614528 0.77 HTT (0.41) ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL17581161 0.76 MAPT (0.38) ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL13501522 0.76 HCAR2 (0.33) ALDH1A1MAPTTDP1
SCHEMBL4595504 0.76 SMN1; SMN2 (0.37) ALDH1A1TDP1SMN1; SMN2
SCHEMBL4595407 0.74 NOS3 (0.30) NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101151253-A Substituted N- [ pyrimidin-2-yl-methyl ] carboxamides and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2008-03-26 CN disclosed
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 ALDH1A1 1743/4885MAPT 4780/4885NOS3 1056/4885

“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.