SCHEMBL10035246

SCHEMBL10035246

COCCCNc1c(S(C)(=O)=O)ccc(C(=O)c2c(C)nn(C)c2O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.36
ALDH1A1 P00352 2/20 0.34
HTR1A P08908 3/20 0.34
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS2 P35354 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL10035244 0.91 HTR1A (0.33) NR3C1ALDH1A1HTR1AADRA1DADRA1A
SCHEMBL10035235 0.88 ABCB1 (0.35) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10035239 0.87 NR3C1 (0.31) NR3C1ALDH1A1SMN1; SMN2
SCHEMBL4584263 0.85 NR3C1 (0.34) NR3C1ALDH1A1HTR1AADRA1DADRA1A
SCHEMBL24886350 0.84 NR3C1 (0.37) NR3C1ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL10035233 0.82 ALDH1A1 (0.33) NR3C1ALDH1A1LMNAMAPTKDM4E
SCHEMBL14570900 0.82 SYK (0.34) NR3C1
SCHEMBL10035242 0.81 CRHR1 (0.33)
SCHEMBL5549072 0.80 NR3C1 (0.32) NR3C1ALDH1A1
SCHEMBL14124742 0.80 ABCB1 (0.33) ALDH1A1HTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178695-B2 Applying to unwanted plants or weeds; controlling broadleaf plants BAYER CROPSCIENCE AG (DE) 2012-05-15 US disclosed
US-20080254990-A1 4-(3-Aminobenzoyl)-1,3-dimethylpyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2008-10-16 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-20080254990-A1 4-(3-Aminobenzoyl)-1,3-dimethylpyrazoles and their use as herbicides DDT, TH, ABAT NR3C1 1717/4885ALDH1A1 135/4885HTR1A 514/4885

“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.