SCHEMBL587253

SCHEMBL587253

CSc1nnnn1CCOc1c(Cl)ccc(C(=O)Oc2cc(C)nn2C)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 3/20 0.31
CYP2C9 P11712 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
ALOX15 P16050 1/20 0.30
POLB P06746 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
SCHEMBL6492924 0.84 LMNA (0.39) KMT2ALMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL587873 0.82 MAPK1 (0.37) KMT2ALMNAMEN1HSD17B10MAPT
SCHEMBL587560 0.82 HPGD (0.33) KMT2AALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL6479817 0.81 KMT2A (0.43) KMT2ALMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6479627 0.81 KMT2A (0.43) KMT2ALMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL587551 0.80 MAPK1 (0.36) KMT2ALMNAMEN1HSD17B10MAPT
SCHEMBL587234 0.79 POLB (0.31) KMT2AMAPTALOX15POLB
SCHEMBL587840 0.73 MAPT (0.32) KMT2AMAPTALOX15
SCHEMBL6494876 0.72 MAPK1 (0.42) KMT2ALMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL587899 0.71 MAPT (0.31) KMT2AMAPTALOX15

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 KMT2A 896/4885LMNA 4205/4885ALDH1A1 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.