SCHEMBL2934012

SCHEMBL2934012

COC(=O)c1cc2nc(C(F)(F)F)ccc2cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SIRT6 Q8N6T7 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2934757 0.84 LMNA (0.42) ALDH1A1MAPTKMT2ATDP1FLT1
SCHEMBL27723773 0.82 SIRT6 (0.41) SMN1; SMN2KDM4ESIRT6L3MBTL1ALDH1A1
SCHEMBL535545 0.77 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL535887 0.77 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2938117 0.76 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25280362 0.76 GAA (0.40) SMN1; SMN2SIRT6L3MBTL1MAPK1ALDH1A1
SCHEMBL30457771 0.76 GAA (0.40) SMN1; SMN2SIRT6L3MBTL1MAPK1ALDH1A1
SCHEMBL22655932 0.75 SYK (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9945607 0.74 KDM4E (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4677098 0.74 TDP1 (0.49) SMN1; SMN2KDM4ESIRT6MAPK1ALDH1A1

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 11 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
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
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
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 (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-20090221587-A1 NOVEL INSECTICIDES DDT, CYP4F11, ACHE TUBB4A 365/4885TUBB 194/4885TUBA3C 91/4885

“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.