SCHEMBL588245

SCHEMBL588245

O=C(Cl)c1ccc(Cl)c(OCCn2nnnc2CS)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 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
SCHEMBL3612812 0.91 MEN1 (0.38) MEN1KMT2AALDH1A1KDM4CCYP1A2
SCHEMBL587774 0.86 ALDH1A1 (0.38) KMT2AALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL6495177 0.84 CYP1A2 (0.36) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL6479627 0.81 KMT2A (0.43) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL588244 0.81 MEN1 (0.33) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL6482175 0.75 MEN1 (0.39) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL587431 0.74 MAPK1 (0.43) MEN1KMT2AALDH1A1HPGD
SCHEMBL6493539 0.73 MAPK1 (0.33) CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6492362 0.73 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1HPGD
SCHEMBL6494876 0.72 MAPK1 (0.42) KMT2AALDH1A1CYP1A2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081925-B1 Benzoylpyrazoles, their use as herbicides, and intermediates BAYER CROPSCIENCE AG (DE) 2012-02-15 EP disclosed
US-8084398-B2 Benzoylpyrazoles and herbicide BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
EP-2081925-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES Bayer CropScience AG (DE) 2009-07-29 EP disclosed
WO-2008043456-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2008-04-17 WO 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-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE ATL3, AHR, HACL2 MEN1 4437/4885KMT2A 896/4885ALDH1A1 1178/4885

“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.