SCHEMBL1780784

SCHEMBL1780784

Cc1c(C(=O)c2cnn(C)c2O)ccc(S(C)(=O)=O)c1NC1CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.34
OPRM1 P35372 1/20 0.33
MELK Q14680 4/20 0.33
JAK3 P52333 3/20 0.32
JAK1 P23458 2/20 0.32
JAK2 O60674 2/20 0.32
TYK2 P29597 1/20 0.32
CDK1 P06493 2/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CDK2 P24941 2/20 0.32
SYK P43405 1/20 0.31
KAT2B Q92831 5/20 0.31
LRRK2 Q5S007 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL4582626 0.86 NPC1 (0.31)
SCHEMBL1878389 0.86 PDE4B (0.39) PDE4B
SCHEMBL12602578 0.85 PTGER4 (0.34) MELKJAK3JAK1JAK2LRRK2
SCHEMBL4500884 0.84 ALDH1A1 (0.38)
SCHEMBL6612611 0.83 NPC1 (0.32)
SCHEMBL4509685 0.83
SCHEMBL12602576 0.83
SCHEMBL4506957 0.83 NPC1 (0.31) PDE4B
SCHEMBL12602531 0.82 SMN1; SMN2 (0.32)
SCHEMBL12602565 0.82 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146966-B1 4-(3-AMINOBENZOYL)-1-METHYL PYRAZOLES AND THEIR APPLICATION AS HERBICIDES BAYER IP GMBH (DE) 2015-09-30 EP disclosed
US-7943550-B2 Controlling broadleaf plants, weeds, grasses BAYER CROPSCIENCE AG (DE) 2011-05-17 US disclosed
EP-2146966-A1 4-(3-AMINO BENZOYL)-1-METHYLPYRAZOLES AND THE USE THEREOF AS HERBICIDES Bayer CropScience AG (DE) 2010-01-27 EP disclosed
WO-2008125213-A1 4-(3-AMINO BENZOYL)-1-METHYLPYRAZOLES AND THE USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-10-23 WO disclosed
US-20080254992-A1 4-(3-Aminobenzoyl)-1 methylpyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2008-10-16 US disclosed
EP-1980553-A1 4-(3-aminobenzoyl)-1-methyl 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-20080254992-A1 4-(3-Aminobenzoyl)-1 methylpyrazoles and their use as herbicides TH, DDT, ABAT PDE4B 1745/4885OPRM1 1584/4885MELK 894/4885

“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.