SCHEMBL4589899

SCHEMBL4589899

COc1cc(C)cc(Nc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.56
MAPT P10636 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
GAA P10253 4/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CASP7 P55210 1/20 0.55
PKM P14618 1/20 0.50
EPAS1 Q99814 1/20 0.50
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 4/20 0.48
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
AKR1C4 P17516 2/20 0.48
AKR1C1 Q04828 2/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL4947225 0.83 MAPT (0.67) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL30310075 0.81 MAPK1 (0.68) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL3913669 0.81 MAPK1 (0.68) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL4589497 0.81 EPAS1 (0.71) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL4940284 0.79 TDP1 (0.68) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL4588367 0.77 AKR1C3 (0.62) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL6439150 0.77 AKR1C3 (0.62) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL497223 0.76 MAPK1 (0.74) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL31522167 0.76 L3MBTL1 (0.60) MAPK1MAPTMEN1KMT2AHPGD
SCHEMBL4589360 0.76 MAPK1 (0.55) MAPK1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345075-B2 6-[(1,2-diphenyl-1H-benzimidazol-6-yl)oxy]hexanoic acid isopropyl ester; antiinflammatory agents; microglia activators; neurodegenerative diseases SCHERING AKTIENGESELLSCHAFT (DE) 2008-03-18 US disclosed
US-7329679-B2 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 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 (3 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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 MAPK1 1064/4885MAPT 1799/4885MEN1 3010/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPK1 1255/4885MAPT 829/4885MEN1 3216/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPK1 1255/4885MAPT 829/4885MEN1 3216/4885

“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.