SCHEMBL535887

SCHEMBL535887

COC(=O)c1cc2nc(C(F)(F)F)ccc2c(O)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
IGF1R P08069 1/20 0.37
SDHB P21912 1/20 0.36

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 0.92 KDM4E (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL535545 0.88 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2938117 0.87 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27723769 0.84 COMT (0.36) ALDH1A1MAPTKMT2ACOMTKDM4E
SCHEMBL535642 0.82 SDHB (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2934012 0.77 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2935943 0.77 PKM (0.51) ALDH1A1MAPTIGF1RKDM4EPDE4A
SCHEMBL535729 0.75 IGF1R (0.39) ALDH1A1MAPTKMT2AIGF1RPDE4B
SCHEMBL535636 0.73 KDM4E (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27723778 0.72 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2

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-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
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 TUBB4A 365/4885TUBB 194/4885TUBA3C 91/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 TUBB4A 636/4885TUBB 492/4885TUBA3C 660/4885

“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.