SCHEMBL587950

SCHEMBL587950

O=C(O)c1ccc(Cl)c(OCCCn2cnnn2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
TP53 P04637 4/20 0.38
LTB4R Q15722 1/20 0.37
MAPT P10636 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
LTA4H P09960 1/20 0.34
HTR4 Q13639 1/20 0.34
HMOX1 P09601 1/20 0.34
KDM4E B2RXH2 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
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL587146 0.94 MAPK1 (0.43) MAPK1TP53LTB4RMAPTMEN1
SCHEMBL587900 0.91 MAPK1 (0.42) MAPK1TP53LTB4RMAPTMEN1
SCHEMBL588006 0.86 GAA (0.44) MAPK1TP53MEN1KMT2AALDH1A1
SCHEMBL587431 0.84 MAPK1 (0.43) MAPK1TP53MAPTMEN1KMT2A
SCHEMBL587534 0.82 MAPK1 (0.41) MAPK1TP53MAPTMEN1KMT2A
SCHEMBL587378 0.81 GAA (0.45) MAPK1TP53MEN1KMT2AALDH1A1
SCHEMBL587551 0.79 MAPK1 (0.36) MAPK1TP53LTB4RMAPTMEN1
SCHEMBL6480767 0.79 MAPK1 (0.34) MAPK1TP53MAPTRAB9ALMNA
SCHEMBL6489720 0.79 TP53 (0.35) MAPK1TP53MAPTRAB9ALMNA
SCHEMBL6480867 0.76 MAPK1 (0.37) MAPK1TP53MAPTKMT2AHTR4

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 3125/4885LTB4R 2604/4885

“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.