SCHEMBL4497649

SCHEMBL4497649

CCN(CC)C(=O)Nc1c(S(C)(=O)=O)ccc(C(=O)c2cnn(C)c2O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
NPSR1 Q6W5P4 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PAX8 Q06710 1/20 0.30
MCL1 Q07820 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL4505638 0.89 SMN1; SMN2 (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4501160 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4500314 0.86 ALDH1A1 (0.34) ALDH1A1KMT2A
SCHEMBL12602577 0.85 CCR4 (0.31) ALDH1A1HPGDNPSR1MAPTRAB9A
SCHEMBL4487828 0.84 PDE4B (0.33) ALDH1A1KDM4ERECQL
SCHEMBL12602547 0.83 KAT2B (0.33)
SCHEMBL12602569 0.83 CISD1 (0.31) POLB
SCHEMBL8181420 0.80 MAPT (0.32) ALDH1A1HPGDNPSR1MAPTRAB9A
SCHEMBL23061232 0.79 ALDH1A1 (0.32) ALDH1A1NPSR1MAPTRAB9A
SCHEMBL12602575 0.79 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTL3MBTL1

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-7635664-B2 Herbicidal substituted benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2009-12-22 US disclosed
US-20040110640-A1 Herbicidal substituted benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2004-06-10 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-20040110640-A1 Herbicidal substituted benzoylpyrazoles DDT, GLRX3, CBR3 ALDH1A1 294/4885KDM4E 1040/4885HPGD 2374/4885

“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.