SCHEMBL587100

SCHEMBL587100

COC(=O)c1ccc(Cl)c(OCCn2cnnn2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
STAT5B P51692 1/20 0.38
THRB P10828 1/20 0.37
HTR4 Q13639 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 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
SCHEMBL587534 0.89 MAPK1 (0.41) TP53LMNAMAPK1GAAMAPT
SCHEMBL587233 0.89 MAPK1 (0.41) TP53LMNAMAPK1GAAMAPT
SCHEMBL587378 0.82 GAA (0.45) TP53LMNAMAPK1GAAALDH1A1
SCHEMBL587801 0.80 MAPK1 (0.35) TP53LMNAMAPK1GAAMAPT
SCHEMBL587146 0.79 MAPK1 (0.43) TP53LMNAMAPK1GAAMAPT
SCHEMBL587431 0.79 MAPK1 (0.43) TP53LMNAMAPK1GAAMAPT
SCHEMBL588006 0.77 GAA (0.44) TP53LMNAMAPK1GAAALDH1A1
SCHEMBL6304243 0.77 PTGER4 (0.39) LMNAGAAMAPTALDH1A1KDM4E
SCHEMBL587255 0.76 ABL1 (0.38) LMNAGAAMAPTALDH1A1KDM4E
SCHEMBL587873 0.75 MAPK1 (0.37) TP53LMNAMAPK1GAAMAPT

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 TP53 3125/4885LMNA 4205/4885MAPK1 2176/4885

“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.