SCHEMBL5408865

SCHEMBL5408865

O=[N+]([O-])c1ccc(O)cc1Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
MAPT P10636 4/20 0.67
KMT2A Q03164 4/20 0.67
TDP1 Q9NUW8 3/20 0.67
MAPK1 P28482 2/20 0.67
GAA P10253 2/20 0.67
PKM P14618 1/20 0.67
L3MBTL1 Q9Y468 3/20 0.65
ALDH1A1 P00352 3/20 0.65
CASP7 P55210 1/20 0.65
HCAR3 P49019 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 2/20 0.51
MYC P01106 1/20 0.51
IDO1 P14902 1/20 0.51
CXCR2 P25025 4/20 0.51
AR P10275 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49

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
SCHEMBL6651601 0.87 KMT2A (0.59) MEN1MAPTKMT2ATDP1MAPK1
SCHEMBL1437915 0.87 HCAR3 (0.68) MEN1MAPTKMT2ATDP1MAPK1
SCHEMBL2208981 0.84 MAPT (0.59) MEN1MAPTKMT2ATDP1MAPK1
SCHEMBL2329657 0.84 MEN1 (0.58) MEN1MAPTKMT2ATDP1MAPK1
SCHEMBL11555734 0.82 MAPK1 (0.67) MEN1MAPTKMT2ATDP1MAPK1
SCHEMBL2328424 0.81 MEN1 (0.57) MEN1MAPTKMT2ATDP1MAPK1
SCHEMBL9943157 0.81 L3MBTL1 (0.70) MEN1MAPTKMT2ATDP1MAPK1
SCHEMBL2330319 0.81 MAPT (0.61) MEN1MAPTKMT2ATDP1MAPK1
SCHEMBL28748174 0.81 KMT2A (0.55) MEN1MAPTKMT2ATDP1MAPK1
SCHEMBL3253899 0.81 L3MBTL1 (0.77) MEN1MAPTKMT2ATDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196202-B2 1-aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2007-03-27 US disclosed
EP-1404656-B9 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-10-19 EP disclosed
US-20050143439-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-30 US disclosed
US-6903126-B2 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2005-06-07 US disclosed
EP-1404656-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-05-18 EP disclosed
EP-1404656-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-07 EP disclosed
US-20030125550-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-07-03 US disclosed
WO-2003006438-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-23 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 (2 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-20030125550-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives MSR1, ARG2, ARG1 MEN1 4451/4885MAPT 1776/4885KMT2A 2370/4885
US-20050143439-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives MSR1, ARG2, CYBB MEN1 4501/4885MAPT 1745/4885KMT2A 2159/4885

“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.