SCHEMBL2141997

SCHEMBL2141997

NC(=O)Oc1ccccc1OC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
KMT2A Q03164 3/20 0.58
ATM Q13315 1/20 0.58
KDM4E B2RXH2 1/20 0.58
BLM P54132 1/20 0.58
HSP90AA1 P07900 1/20 0.54
ALDH1A1 P00352 4/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FAAH O00519 1/20 0.51
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.46
RAD51 Q06609 1/20 0.46

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
SCHEMBL10708809 0.87 ATM (0.60) GAAKMT2AATMKDM4EBLM
SCHEMBL31527768 0.86 ATM (0.77) GAAKMT2AATMKDM4EBLM
SCHEMBL8460307 0.85 RAB9A (0.52) GAAKMT2AATMKDM4EBLM
SCHEMBL2142002 0.82 ALDH1A1 (0.70) GAAKMT2AKDM4EBLMALDH1A1
SCHEMBL7029967 0.80 KMT2A (0.52) KMT2AATMKDM4EBLMALDH1A1
SCHEMBL29728552 0.80 KMT2A (0.52) KMT2AATMKDM4EBLMALDH1A1
SCHEMBL11794672 0.79 KMT2A (0.64) GAAKMT2AKDM4EALDH1A1HTT
SCHEMBL24282083 0.79 KDM4E (0.59) GAAKMT2AATMKDM4EBLM
SCHEMBL8048675 0.79 NOTUM (0.59) GAAKMT2AATMKDM4EBLM
SCHEMBL20627293 0.79 RAB9A (0.63) GAAKMT2AATMKDM4EBLM

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160212993-A1 ADJUVANT COMPOSITIONS SYNGENTA LIMITED (GB) 2016-07-28 US disclosed
US-20150313215-A1 PESTICIDAL MIXTURES SYNGENTA CROP PROTECTION LLC (US) 2015-11-05 US disclosed
US-20150011573-A1 ADJUVANT COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-01-08 US disclosed
EP-2811828-A1 ADJUVANT COMPOSITIONS Syngenta Participations AG (CH) 2014-12-17 EP disclosed
US-8852618-B2 Insecticidal mixture containing gamma-cyhalothrin SYNGENTA LIMITED (GB) 2014-10-07 US disclosed
US-20130203590-A1 PESTICIDAL MIXTURES SYNGENTA CROP PROTECTION LLC (US) 2013-08-08 US disclosed
WO-2013110553-A1 ADJUVANT COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2013-08-01 WO disclosed
EP-2549878-A2 PESTICIDAL MIXTURES Syngenta Participations AG (CH) 2013-01-30 EP disclosed
WO-2011117272-A2 PESTICIDAL MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-29 WO disclosed
US-7906127-B2 Insecticidal mixture containing gamma-cyhalothrin SYNGENTA LIMITED (GB) 2011-03-15 US disclosed
US-20100081714-A1 INSECTICIDAL MIXTURE CONTAINING GAMMA-CYHALOTHRIN CLOUGH MARTIN STEPHEN 2010-04-01 US disclosed
EP-2087791-A2 Insecticidal mixture containing gamma-cyhalothrin Syngenta Limited (GB) 2009-08-12 EP disclosed
US-20050233986-A1 Insecticidal mixture containing gamma-cyhalothrin SYNGENTA LIMITED (GB) 2005-10-20 US disclosed
EP-1414304-A1 INSECTICIDAL MIXTURE CONTAINING GAMMA-CYHALOTHRIN Syngenta Limited (GB) 2004-05-06 EP disclosed
WO-2003011031-A1 INSECTICIDAL MIXTURE CONTAINING GAMMA-CYHALOTHRIN SYNGENTA LIMITED (GB) 2003-02-13 WO disclosed
EP-1119547-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES Syngenta Limited (GB) 2001-08-01 EP disclosed
WO-2000071785-A2 2-CYLCOALKYLCARBONYLCYCLOHEXANE-1,3-DIONE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 2000-11-30 WO disclosed
WO-2000021928-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES SYNGENTA LIMITED (GB) 2000-04-20 WO disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
EP-0063411-B1 SUBSTITUTED METHANEPHOSHONIC ACID DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR PREPARING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-05 EP 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-20160212993-A1 ADJUVANT COMPOSITIONS TLR3, MYD88, ALOX5 GAA 2438/4885KMT2A 3037/4885ATM 701/4885
US-20150011573-A1 ADJUVANT COMPOSITIONS TLR3, MYD88, ALOX5 GAA 2438/4885KMT2A 3037/4885ATM 701/4885

“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.