Nitrobenzene

Nitrobenzene

SCHEMBL2743390

O=[N+]([O-])c1ccc(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)cc1.O=[N+]([O-])c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PIK3CA P42336 3/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CG P48736 3/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
PAX8 Q06710 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLK1 P53350 1/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
PSD A5PKW4 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PRKCA P17252 1/20 0.42
TRPV3 Q8NET8 1/20 0.42

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
SCHEMBL1258187 0.95 PIK3CA (0.50) NPC1RAB9APIK3CAPIK3CBPIK3CG
SCHEMBL28486201 0.84 KMT2A (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28267570 0.81 MEN1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL25333930 0.78 PIK3CA (0.76) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL31118991 0.78 PIK3CA (0.76) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL1257908 0.76 MEN1 (0.56) NPC1RAB9AMEN1KMT2APAX8
Trifluoromethylbenzene SCHEMBL29273876 0.76 KIF11 (0.55) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4895565 0.76 SRD5A2 (0.54) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4898700 0.76 SRD5A2 (0.54) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL16930789 0.76 NPC1 (0.51) NPC1RAB9APIK3CAPIK3CBPIK3CG

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-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 US 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 (4 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP NPC1 1008/4885RAB9A 371/4885PIK3CA 2820/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS NPC1 4139/4885RAB9A 848/4885PIK3CA 1677/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS NPC1 4139/4885RAB9A 848/4885PIK3CA 1677/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS NPC1 4139/4885RAB9A 848/4885PIK3CA 1677/4885

“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.