SCHEMBL465462

SCHEMBL465462

O=[N+]([O-])c1ccc2[nH]c(-c3ccc(OCCOc4ccc(-c5nc6cc([N+](=O)[O-])ccc6[nH]5)cc4)cc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 12/20 0.61
NPC1 O15118 7/20 0.61
MAPT P10636 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HTT P42858 4/20 0.61
MEN1 O00255 3/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
KMT2A Q03164 3/20 0.61
RELA Q04206 3/20 0.61
LMNA P02545 2/20 0.61
MAPK1 P28482 2/20 0.61
GAA P10253 1/20 0.61
STAT1 P42224 1/20 0.61
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61
MMP2 P08253 4/20 0.60
MMP9 P14780 4/20 0.60
MMP8 P22894 4/20 0.60

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
SCHEMBL5566197 0.87 NPC1 (0.78) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2244388 0.86 NPBWR1 (0.81) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL31060181 0.84 CHEK2 (0.82) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12470997 0.83 NPBWR1 (0.82) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10172964 0.82 NPBWR1 (0.80) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28612020 0.82 MMP2 (0.71) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3193088 0.82 NPBWR1 (0.80) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3183535 0.82 MAPT (0.66) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13856173 0.82 NPBWR1 (0.80) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2308775 0.81 NPBWR1 (0.79) NPBWR1NPC1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194981-B1 BISBENZIMIDAZOLES AS ANTIMALARIAL AGENTS UNIV MONS HAINAUT (BE) 2011-11-23 EP disclosed
EP-2194981-B1 BISBENZIMIDAZOLES AS ANTIMALARIAL AGENTS UNIV MONS HAINAUT (BE) 2011-11-23 EP disclosed
US-20100160402-A1 Bisbenzimidazoles as antimalarial agents XAVIER UNIVERSITY OF LOUISIANA 2010-06-24 US disclosed
US-20100160402-A1 Bisbenzimidazoles as antimalarial agents XAVIER UNIVERSITY OF LOUISIANA 2010-06-24 US disclosed
US-20100160402-A1 Bisbenzimidazoles as antimalarial agents XAVIER UNIVERSITY OF LOUISIANA 2010-06-24 US disclosed
WO-2009043902-A1 BISBENZIMIDAZOLES AS ANTIMALARIAL AGENTS UNIVERSITE DE MONS HAINAUT (BE) 2009-04-09 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-20100160402-A1 Bisbenzimidazoles as antimalarial agents NQO2, SQOR, CPS1 NPBWR1 1299/4885NPC1 1415/4885MAPT 4732/4885

“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.