SCHEMBL6324185

SCHEMBL6324185

COc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 10/20 0.86
▸ NPC1 O15118 8/20 0.86
▸ RAB9A P51151 7/20 0.86
▸ SMN1; SMN2 Q16637 7/20 0.86
▸ MAPT P10636 6/20 0.86
▸ HTT P42858 4/20 0.86
▸ MEN1 O00255 4/20 0.86
▸ KMT2A Q03164 4/20 0.86
▸ NFKB1 P19838 4/20 0.86
▸ NFKB2 Q00653 4/20 0.86
▸ RELA Q04206 4/20 0.86
▸ LMNA P02545 3/20 0.86
▸ MAPK1 P28482 2/20 0.86
▸ GAA P10253 1/20 0.86
▸ STAT1 P42224 1/20 0.86
▸ SAE1 Q9UBE0 1/20 0.86
▸ UBA2 Q9UBT2 1/20 0.86
▸ MMP2 P08253 4/20 0.73
▸ MMP9 P14780 4/20 0.73
▸ MMP8 P22894 4/20 0.73

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
SCHEMBL6324182 0.90 NPBWR1 (0.73) NPBWR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20982659 0.86 NPC1 (0.85) NPBWR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28564456 0.86 CHEK2 (0.88) NPBWR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5566191 0.85 NPC1 (1.00) NPBWR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2244388 0.85 NPBWR1 (0.81) NPBWR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28562215 0.85 CHEK2 (0.86) NPBWR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20982761 0.83 NPC1 (0.97) NPBWR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6326719 0.83 MMP2 (1.00) NPBWR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20982700 0.82 NPC1 (0.94) NPBWR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19995192 0.81 NPBWR1 (0.69) NPBWR1NPC1RAB9ASMN1; 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
US-20050277686-A1 Benzimidazole compounds for regulating IgE SIRCAR JAGADISH C 2005-12-15 — — US disclosed
EP-1555020-A2 Benzimidazole derivatives as modulators IgE Avanir Pharmaceuticals (US) 2005-07-20 — — EP disclosed
US-6919366-B2 Benzimidazole derivatives as modulators of IgE AVANIR PHARMACEUTICALS (US) 2005-07-19 — — US disclosed
US-6911462-B2 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS (US) 2005-06-28 — — US disclosed
US-20050075343-A1 Benzimidazole derivatives as modulators of IgE SIRCAR JAGADISH C (US) 2005-04-07 — — US disclosed
EP-1077700-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE AVANIR PHARMACEUTICALS (US) 2005-04-06 — — EP disclosed
US-20030100582-A1 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS 2003-05-29 — — US disclosed
US-20030004203-A1 Benzimidazole derivatives as modulators of IgE AVANIR PHARMACEUTICALS 2003-01-02 — — US disclosed
US-6369091-B1 ANTIALLERGENS AVANIR PHARMACEUTICALS 2002-04-09 — — US disclosed
US-6303645-B1 USEFUL IN THERAPY OF ALLERGY AND/OR ASTHMA OR ANY DISEASES WHERE IMMUNOGLOBULIN E (IGE) IS PATHOGENIC AVANIR PHARMACEUTICALS 2001-10-16 — — US disclosed
EP-1079830-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE Avanir Pharmaceuticals (US) 2001-03-07 — — EP disclosed
EP-1077700-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE Avanir Pharmaceuticals (US) 2001-02-28 — — EP disclosed
WO-1999061019-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 — — WO disclosed
WO-1999061020-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 — — 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-20030100582-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 NPBWR1 1002/4885NPC1 3329/4885RAB9A 4088/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 NPBWR1 1002/4885NPC1 3329/4885RAB9A 4088/4885
US-20030004203-A1 Benzimidazole derivatives as modulators of IgE IGF1R, IGFBP1, IGFBP4 NPBWR1 799/4885NPC1 4542/4885RAB9A 4432/4885
US-20050075343-A1 Benzimidazole derivatives as modulators of IgE FCER2, HRH4, DBI NPBWR1 1864/4885NPC1 3839/4885RAB9A 4017/4885

“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.

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