SCHEMBL587560

SCHEMBL587560

Cc1cc(OC(=O)c2ccc(Cl)c(OCCn3nnnc3C)c2C)n(C)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 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
SCHEMBL587840 0.89 MAPT (0.32) KMT2AMAPTALOX15MAPK1
SCHEMBL587253 0.82 KMT2A (0.34) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL587899 0.79 MAPT (0.31) KMT2AMAPTALOX15
SCHEMBL587445 0.79 MAPT (0.31) KMT2AMAPTALOX15
SCHEMBL587873 0.76 MAPK1 (0.37) KMT2AMAPTALOX15MEN1MAPK1
SCHEMBL6495177 0.75 CYP1A2 (0.36) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6482175 0.75 MEN1 (0.39) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6494876 0.74 MAPK1 (0.42) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL587234 0.74 POLB (0.31) KMT2AMAPTALOX15
SCHEMBL587551 0.73 MAPK1 (0.36) KMT2AMAPTALOX15MEN1MAPK1

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 HPGD 3420/4885CYP1A2 56/4885CYP2C9 441/4885

“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.