SCHEMBL6330461

SCHEMBL6330461

O=[N+]([O-])c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
MAPT P10636 5/20 0.61
RAB9A P51151 5/20 0.61
MMP2 P08253 4/20 0.61
MMP9 P14780 4/20 0.61
MMP8 P22894 4/20 0.61
MMP13 P45452 3/20 0.61
HTT P42858 3/20 0.61
CASP3 P42574 2/20 0.61
SENP8 Q96LD8 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
NPBWR1 P48145 10/20 0.59
SMN1; SMN2 Q16637 4/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL30343727 1.00 NPC1 (0.61) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL6330463 0.90 NPC1 (0.73) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL2361694 0.85 NPBWR1 (0.47) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL20982681 0.85 NPC1 (0.73) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL5566197 0.85 NPC1 (0.78) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL3204647 0.84 RAB9A (0.60) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL15245140 0.83 DGAT1 (0.67) NPBWR1DGAT1KCNH2
SCHEMBL6325681 0.83 MAPT (0.66) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL23011274 0.81 RAB9A (0.50) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL29848553 0.81 RAB9A (0.50) NPC1MAPTRAB9AMMP2MMP9

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-12509465-B2 Benzoimidazole derivatives as anticancer agents CENTRE LEON BERARD (FR) 2025-12-30 US disclosed
EP-3515904-B1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS CENTRE LEON BERARD (FR) 2024-01-17 EP disclosed
CN-110234640-B Benzimidazole derivatives as anticancer agents 利昂贝拉尔中心 2023-04-07 CN disclosed
US-20220348587-A1 Benzoimidazole Derivatives As Anticancer Agents CENTRE LEON BERARD (FR) 2022-11-03 US disclosed
US-11384081-B2 Benzoimidazole derivatives as anticancer agents CENTRE LEON BERARD (FR) 2022-07-12 US disclosed
US-20210292328-A1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS CENTRE LEON BERARD (FR) 2021-09-23 US disclosed
EP-3515904-A1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS Centre Leon Berard (FR) 2019-07-31 EP disclosed
WO-2018054989-A1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS CENTRE LEON BERARD (FR) 2018-03-29 WO disclosed
US-20050277686-A1 Benzimidazole compounds for regulating IgE SIRCAR JAGADISH C 2005-12-15 US disclosed
US-6911462-B2 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS (US) 2005-06-28 US disclosed
US-20030100582-A1 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS 2003-05-29 US disclosed
US-6369091-B1 ANTIALLERGENS AVANIR PHARMACEUTICALS 2002-04-09 US disclosed
EP-1079830-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE Avanir Pharmaceuticals (US) 2001-03-07 EP 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 (6 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-12509465-B2 Benzoimidazole derivatives as anticancer agents CCAR2, MAPKAP1, BCOR NPC1 1805/4885MAPT 4242/4885RAB9A 1921/4885
US-20030100582-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 NPC1 3329/4885MAPT 3023/4885RAB9A 4088/4885
US-20210292328-A1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS TMBIM6, BAX, MAPK14 NPC1 3255/4885MAPT 2314/4885RAB9A 2367/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 NPC1 3329/4885MAPT 3023/4885RAB9A 4088/4885
US-11384081-B2 Benzoimidazole derivatives as anticancer agents TMBIM6, BAX, MAPK14 NPC1 3255/4885MAPT 2314/4885RAB9A 2367/4885
US-20220348587-A1 Benzoimidazole Derivatives As Anticancer Agents TMBIM6, BAX, BCL2 NPC1 3283/4885MAPT 2397/4885RAB9A 2426/4885

“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.