SCHEMBL1878729

SCHEMBL1878729

CCCNc1c(S(C)(=O)=O)ccc(C(=O)c2cnn(CC)c2O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 2/20 0.35
PDE5A O76074 1/20 0.35
PDE4B Q07343 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL1878669 0.94 PDE5A (0.42) LMNASMN1; SMN2RAB9APDE5APDE4B
SCHEMBL1880157 0.92 LMNA (0.36) LMNASMN1; SMN2RAB9APDE5APDE4B
SCHEMBL1882297 0.90 SMN1; SMN2 (0.35) LMNASMN1; SMN2RAB9APDE5APDE4B
SCHEMBL12636803 0.89 PDE4B (0.34) LMNASMN1; SMN2RAB9APDE5APDE4B
SCHEMBL12602565 0.88 ALDH1A1 (0.31) ALDH1A1CYP1A2MAPT
SCHEMBL1882782 0.88 PDE5A (0.36) LMNASMN1; SMN2RAB9APDE5APDE4B
SCHEMBL1880294 0.88 LMNA (0.37) LMNASMN1; SMN2RAB9APDE4BALDH1A1
SCHEMBL1882274 0.88 PDE4B (0.42) LMNASMN1; SMN2RAB9APDE4BALDH1A1
SCHEMBL1876111 0.87 ALDH1A1 (0.35) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL4484429 0.86 ALDH1A1 (0.38) LMNASMN1; SMN2RAB9APDE4BALDH1A1

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 7 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
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 LMNA 4351/4885SMN1; SMN2 4488/4885RAB9A 1203/4885

“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.