SCHEMBL4595504

SCHEMBL4595504

COCc1nc(Cl)cc(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.34
PDE2A O00408 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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 0.86 S1PR4 (0.33) LMNAALDH1A1KDM4ETDP1TUBB4A
SCHEMBL4595225 0.86 LMNA (0.43) SMN1; SMN2LMNAALDH1A1SLC6A3KDM4E
SCHEMBL13230223 0.84 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1SLC6A3KDM4E
SCHEMBL24046193 0.81 ALDH1A1 (0.40) SMN1; SMN2LMNAALDH1A1SLC6A3KDM4E
SCHEMBL18614528 0.78 HTT (0.41) SMN1; SMN2LMNAALDH1A1SLC6A3KDM4E
SCHEMBL17581161 0.77 MAPT (0.38) SMN1; SMN2LMNAALDH1A1KDM4ETDP1
SCHEMBL13501522 0.77 HCAR2 (0.33) LMNAALDH1A1TDP1
SCHEMBL12988241 0.77 GRM5 (0.35) SMN1; SMN2LMNAALDH1A1KDM4EPDE2A
SCHEMBL9461180 0.77 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1SLC6A3KDM4E
SCHEMBL4596233 0.76 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1TDP1

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 SMN1; SMN2 4073/4885LMNA 4632/4885ALDH1A1 1743/4885

“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.