SCHEMBL4670013

SCHEMBL4670013

O=[N+]([O-])c1ccc(-c2nc3cc(-c4nc5cc(-c6ccccc6)ccc5[nH]4)ccc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 5/20 0.56
▸ RAB9A P51151 7/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ MAPT P10636 4/20 0.52
▸ MMP2 P08253 3/20 0.51
▸ MMP9 P14780 3/20 0.51
▸ MMP8 P22894 3/20 0.51
▸ HTT P42858 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CHEK2 O96017 1/20 0.46
▸ GUSB P08236 2/20 0.45
▸ MMP13 P45452 3/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ SCD O00767 1/20 0.44

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
SCHEMBL8132086 0.89 NPBWR1 (0.55) NPBWR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7659219 0.83 MMP13 (0.57) NPBWR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15413801 0.82 NPBWR1 (0.56) NPBWR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28475608 0.81 RAB9A (0.68) NPBWR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL22649095 0.80 NPC1 (0.67) NPBWR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2361694 0.80 NPBWR1 (0.47) NPBWR1RAB9ANPC1MAPTMMP2
SCHEMBL8132089 0.79 NPBWR1 (0.65) NPBWR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1663325 0.78 CRHBP (0.63) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL2308775 0.77 NPBWR1 (0.79) NPBWR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20982681 0.76 NPC1 (0.73) NPBWR1RAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044199-B1 HETEROCYCLIC TOPOISOMERASE POISONS UNIV RUTGERS (US) 2008-07-23 — — EP disclosed
US-20080004280-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-01-03 — — US disclosed
US-6995154-B2 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-02-07 — — US disclosed
US-20040082637-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-04-29 — — US disclosed
US-6667302-B2 Benzimidazole derivatives as anticancer agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2003-12-23 — — US disclosed
US-20020151575-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-10-17 — — US disclosed
US-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 — — US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 — — US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 — — US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 — — EP disclosed
EP-1044199-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-10-18 — — EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 — — US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 — — WO disclosed
WO-1999033824-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-07-08 — — 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 (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-20080004280-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B NPBWR1 4304/4885RAB9A 4650/4885NPC1 3881/4885
US-20040082637-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B NPBWR1 4593/4885RAB9A 4540/4885NPC1 3761/4885
US-20020151575-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B NPBWR1 4756/4885RAB9A 2937/4885NPC1 2228/4885
US-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B NPBWR1 4194/4885RAB9A 2315/4885NPC1 2875/4885

“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.

Send feedback