SCHEMBL335174

SCHEMBL335174

CCCCOC(=O)/C=C/c1ccc(OC)nc1NC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.41
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
AKR1B10 O60218 4/20 0.39
AKR1B1 P15121 4/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL335176 1.00 APP (0.41) APPATMMEN1KMT2APAX8
SCHEMBL13771102 0.82 APP (0.39) APPATMMEN1KMT2APAX8
SCHEMBL3330309 0.81 ATM (0.39) ATMMEN1KMT2APAX8KDM4E
SCHEMBL14984326 0.77 ESR1 (0.41) ATMMEN1KMT2APAX8KDM4E
SCHEMBL335177 0.76 ALOX5 (0.40)
SCHEMBL247864 0.75 AKR1B10 (0.36) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL14984330 0.70 CFTR (0.41) MEN1KMT2AAKR1B10AKR1B1ALDH1A1
SCHEMBL335175 0.69 AR (0.35) ATMMEN1KMT2APAX8TSHR
SCHEMBL27906673 0.69 MAPT (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL30884726 0.69 PARP2 (0.46) MEN1KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2300477-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials GLAXO GROUP LIMITED (GB) 2011-03-24 US disclosed
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials GLAXO GROUP LIMITED (GB) 2011-03-24 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141399-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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 (3 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB APP 2026/4885ATM 2909/4885MEN1 982/4885
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYCS APP 3620/4885ATM 4082/4885MEN1 1801/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 APP 3629/4885ATM 3112/4885MEN1 1686/4885

“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.