SCHEMBL1876111

SCHEMBL1876111

C=CCNc1c(S(C)(=O)=O)ccc(C(=O)c2cnn(CC)c2O)c1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1963212 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL1880157 0.89 LMNA (0.36) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL1777426 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1878729 0.87 LMNA (0.35) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL1880294 0.86 LMNA (0.37) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL1882274 0.85 PDE4B (0.42) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL1878669 0.85 PDE5A (0.42) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL4484429 0.84 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL1882297 0.83 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL12636824 0.83 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2GAAHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939467-B2 Controlling broadleaf plants and weeds and grasses BAYER CROPSCIENCE AG (DE) 2011-05-10 US claimed
EP-2137159-A1 4-(3-AMINOBENZOYL)-1-ETHYLPYRAZOLE AND THE USE THEREOF AS HERBICIDES Bayer CropScience AG (DE) 2009-12-30 EP claimed
WO-2008125212-A1 4-(3-AMINOBENZOYL)-1-ETHYLPYRAZOLE AND THE USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-10-23 WO claimed
US-20080254991-A1 4-(3-Aminobenzoyl)-1-ethylpyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2008-10-16 US claimed
US-7939467-B2 Controlling broadleaf plants and weeds and grasses BAYER CROPSCIENCE AG (DE) 2011-05-10 US disclosed
EP-2137159-A1 4-(3-AMINOBENZOYL)-1-ETHYLPYRAZOLE AND THE USE THEREOF AS HERBICIDES Bayer CropScience AG (DE) 2009-12-30 EP disclosed
WO-2008125212-A1 4-(3-AMINOBENZOYL)-1-ETHYLPYRAZOLE AND THE USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-10-23 WO disclosed
US-20080254991-A1 4-(3-Aminobenzoyl)-1-ethylpyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2008-10-16 US disclosed
EP-1980554-A1 4-(3-aminobenzoyl)-1-ethyl pyrazoles and their application as herbicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-15 EP 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-20080254991-A1 4-(3-Aminobenzoyl)-1-ethylpyrazoles and their use as herbicides DDT, ABAT, TH ALDH1A1 196/4885SMN1; SMN2 4488/4885GAA 1647/4885

“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.