SCHEMBL587534

SCHEMBL587534

Cc1c(C(=O)O)ccc(Cl)c1OCCn1cnnn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TP53 P04637 4/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPD P32754 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
STAT5B P51692 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL587233 0.91 MAPK1 (0.41) MAPK1TP53GAAMAPTHPD
SCHEMBL587100 0.89 TP53 (0.44) MAPK1TP53GAAMAPTLMNA
SCHEMBL587146 0.88 MAPK1 (0.43) MAPK1TP53GAAMAPTLMNA
SCHEMBL587950 0.82 MAPK1 (0.42) MAPK1TP53GAAMAPTLMNA
SCHEMBL587378 0.82 GAA (0.45) MAPK1TP53GAALMNAMEN1
SCHEMBL587801 0.82 MAPK1 (0.35) MAPK1TP53GAAMAPTHPD
SCHEMBL587431 0.81 MAPK1 (0.43) MAPK1TP53GAAMAPTLMNA
SCHEMBL6489720 0.78 TP53 (0.35) MAPK1TP53GAAMAPTLMNA
SCHEMBL588006 0.76 GAA (0.44) MAPK1TP53GAALMNAMEN1
SCHEMBL6490870 0.76 TP53 (0.39) MAPK1TP53GAAMAPTLMNA

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 MAPK1 2176/4885TP53 3125/4885GAA 2641/4885

“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.