SCHEMBL4594865

SCHEMBL4594865

CCc1cc(O)nc(COC)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PRKCE Q02156 2/20 0.32
MYLK Q15746 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRKCG P05129 1/20 0.32
MAPT P10636 1/20 0.32
PRKCA P17252 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 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
SCHEMBL11355247 0.89 PKM (0.38) HCAR2PRKCEMYLKMEN1ALDH1A1
SCHEMBL11365668 0.84 HCAR2 (0.33) HCAR2
SCHEMBL2117301 0.84 PRKCE (0.38) HCAR2PRKCEMYLKMEN1ALDH1A1
SCHEMBL11365659 0.84 SMN1; SMN2 (0.33) HCAR2PRKCEMYLKMEN1ALDH1A1
SCHEMBL11356655 0.81 NOS3 (0.36) NOS3NOS2
SCHEMBL4596233 0.78 ALDH1A1 (0.33) NOS3NOS2ALDH1A1MAPTTDP1
SCHEMBL4595410 0.78 NOS3 (0.32) NOS3NOS2
SCHEMBL11346997 0.77 HTT (0.37) HCAR2PRKCEMYLKMEN1ALDH1A1
SCHEMBL9402089 0.76 APLNR (0.36) NOS2ALDH1A1
SCHEMBL13501522 0.76 HCAR2 (0.33) HCAR2PRKCEMYLKMEN1ALDH1A1

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 NOS3 1056/4885NOS2 482/4885HCAR2 448/4885

“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.