SCHEMBL5221558

SCHEMBL5221558

O=C(O)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.80
NPC1 O15118 7/20 0.78
MAPT P10636 7/20 0.78
RAB9A P51151 7/20 0.78
HTT P42858 5/20 0.78
CASP3 P42574 2/20 0.78
SENP8 Q96LD8 2/20 0.78
SENP7 Q9BQF6 2/20 0.78
SENP6 Q9GZR1 2/20 0.78
MMP2 P08253 2/20 0.78
MMP9 P14780 2/20 0.78
MMP8 P22894 2/20 0.78
MMP13 P45452 2/20 0.78
CHEK2 O96017 2/20 0.75
SMN1; SMN2 Q16637 6/20 0.74
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
NFKB1 P19838 3/20 0.70
NFKB2 Q00653 3/20 0.70
RELA Q04206 3/20 0.70

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
SCHEMBL5217725 0.92 CHEK2 (0.87) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL3195153 0.90 CHEK2 (0.65) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL20982761 0.89 NPC1 (0.97) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL20982700 0.88 NPC1 (0.94) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL5566191 0.88 NPC1 (1.00) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL7040027 0.87 CHEK2 (0.62) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL6643380 0.86 CHEK2 (1.00) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL5219206 0.85 NPBWR1 (0.77) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL31049578 0.85 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL17898258 0.85 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9AHTT

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-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
EP-3710442-A2 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME The Scripps Research Institute (US) 2020-09-23 EP disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-7282518-B2 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-10-16 US disclosed
US-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION SIRCAR JAGADISH C 2007-08-30 US disclosed
EP-1368028-B1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-08-15 EP disclosed
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents SIRCAR JAGADISH C (US) 2004-10-28 US disclosed
US-6759425-B2 USEFUL IN THE TREATMENT OF ALLERGY AND/OR ASTHMA OR ANY DISEASES WHERE IGE IS PATHOGENIC; ALSO ARE USEFUL AS ANTICANCER AGENTS. AVANIR PHARMACEUTICALS 2004-07-06 US disclosed
EP-1368028-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2003-12-10 EP disclosed
WO-2002072090-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2002-09-19 WO disclosed
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2002-09-19 US 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-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION MKI67, CMA1, CCNI NPBWR1 1710/4885NPC1 2928/4885MAPT 3701/4885
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 NPBWR1 3449/4885NPC1 2591/4885MAPT 60/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 NPBWR1 3449/4885NPC1 2591/4885MAPT 60/4885
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents FCER2, CMA1, FCGR1A NPBWR1 2730/4885NPC1 3036/4885MAPT 4067/4885
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation MKI67, CMA1, CCNI NPBWR1 1710/4885NPC1 2928/4885MAPT 3701/4885

“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.