SCHEMBL9983171

SCHEMBL9983171

Nc1nc(=O)c([N+](=O)[O-])c(Cl)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.38
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
GALR3 O60755 1/20 0.35
GRIN2D O15399 4/20 0.35
GRIN3B O60391 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN2C Q14957 4/20 0.35
GRIN3A Q8TCU5 4/20 0.35
BLM P54132 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL4070047 0.78 TYMS (0.38) TYMSALDH1A1TDP1BLMCYP3A4
SCHEMBL727348 0.74 TYMS (0.44) TYMSALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL21067279 0.74 SMN1; SMN2 (0.37) TYMSALDH1A1TDP1BLMCYP3A4
SCHEMBL3919290 0.69 TYMS (0.47) TYMSALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL1716189 0.67 TYMS (0.44) TYMSALDH1A1TDP1BLMMAPT
SCHEMBL15717554 0.65 ALDH1A1 (0.48) TYMSALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL9871854 0.65 ALDH1A1 (0.39) ALDH1A1TDP1MAPTNPC1LMNA
SCHEMBL9119626 0.65 TSHR (0.44) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL14608804 0.64 MEN1 (0.47) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30992734 0.64 MEN1 (0.39) ALDH1A1TDP1GALR3GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091509-B2 HPPK inhibitors useful as antibacterial agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-08-17 US disclosed
US-20190241605-A1 HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2019-08-08 US disclosed
WO-2018071531-A1 HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-04-19 WO disclosed
US-20160368944-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS US HEALTH (US) 2016-12-22 US disclosed
US-9453019-B2 Linked purine pterin HPPK inhibitors useful as antibacterial agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-20150218167-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS US HEALTH (US) 2015-08-06 US disclosed
US-9029344-B2 Linked purine pterin HPPK inhibitors useful as antibacterial agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-05-12 US disclosed
US-20130172285-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-07-04 US disclosed
EP-2582712-A2 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-04-24 EP disclosed
WO-2011159471-A2 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-12-22 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 (5 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-20160368944-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS PDXK, HPRT1, PLPBP TYMS 67/4885ALDH1A1 3443/4885TDP1 818/4885
US-20130172285-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS PDXK, HPRT1, PLPBP TYMS 57/4885ALDH1A1 3507/4885TDP1 775/4885
US-20190241605-A1 HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS PDXK, PHKG1, DTYMK TYMS 74/4885ALDH1A1 3219/4885TDP1 649/4885
US-20150218167-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS PDXK, HPRT1, PLPBP TYMS 57/4885ALDH1A1 3507/4885TDP1 775/4885
US-11091509-B2 HPPK inhibitors useful as antibacterial agents PDXK, PHKG1, DTYMK TYMS 74/4885ALDH1A1 3219/4885TDP1 649/4885

“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.