SCHEMBL535636

SCHEMBL535636

COC(=O)c1cc(O)c2ccc(C(F)(F)F)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
XDH P47989 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
FUT7 Q11130 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NOTUM Q6P988 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL3633692 0.85 KDM4E (0.36) KDM4ELMNAL3MBTL1XDHPOLB
SCHEMBL9945607 0.80 KDM4E (0.53) KDM4ELMNAL3MBTL1XDHGAA
SCHEMBL27723811 0.80 KDM4E (0.46) KDM4ELMNAL3MBTL1XDHPOLB
SCHEMBL1688414 0.78 KDM4E (0.52) KDM4ELMNAL3MBTL1XDHPOLB
SCHEMBL537429 0.76 HTT (0.56) KDM4ELMNAL3MBTL1XDHGAA
SCHEMBL25287570 0.76 LCK (0.55) KDM4ELMNAL3MBTL1XDHPOLB
SCHEMBL29893474 0.75 ADORA3 (0.46) KDM4ELMNAL3MBTL1XDHGAA
SCHEMBL19764532 0.74 GAA (0.54) KDM4ELMNAL3MBTL1XDHPOLB
SCHEMBL2910799 0.73 CFTR (0.49) KDM4ELMNAL3MBTL1ALDH1A1HTT
SCHEMBL535887 0.73 TUBB4A (0.40) KDM4ELMNAL3MBTL1ALDH1A1HTT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 US disclosed
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 US disclosed
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2144898-B1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2012-02-08 EP disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
EP-1919903-B1 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-01-27 EP disclosed
EP-2144898-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-20 EP disclosed
US-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
US-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
US-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
WO-2008130021-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 WO disclosed
WO-2008130021-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 WO disclosed
EP-1919903-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES Syngeta Participations AG (CH) 2008-05-14 EP disclosed
WO-2007020050-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
WO-2007020050-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 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 (2 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-20090221587-A1 NOVEL INSECTICIDES DDT, CYP4F11, ACHE KDM4E 3002/4885LMNA 2246/4885L3MBTL1 1164/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 KDM4E 2297/4885LMNA 3561/4885L3MBTL1 3467/4885

“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.