SCHEMBL2323266

SCHEMBL2323266

O=[N+]([O-])c1c(O)ccc2nc(-c3ccccc3)n(-c3ccccc3)c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ HTT P42858 3/20 0.51
▸ HCAR1 Q9BXC0 1/20 0.47
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ POLB P06746 4/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CASP6 P55212 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2327476 0.81 ALDH1A1 (0.48) ALDH1A1HTTHCAR1ESR1ESR2
SCHEMBL18894351 0.77 ALDH1A1 (0.46) ALDH1A1HTTHCAR1ESR1ESR2
SCHEMBL2327209 0.73 ALDH1A1 (0.50) ALDH1A1HTTHCAR1ESR1ESR2
SCHEMBL2330528 0.73 LTB4R (0.43) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL9284465 0.69 ESR1 (0.59) ALDH1A1HTTESR1ESR2POLB
SCHEMBL2326368 0.69 ALDH1A1 (0.63) ALDH1A1HTTESR1ESR2POLB
SCHEMBL24476759 0.69 HCAR1 (0.49) ALDH1A1HTTHCAR1ESR1ESR2
SCHEMBL26693461 0.68 ALDH1A1 (0.50) ALDH1A1HTTHCAR1POLBMEN1
SCHEMBL29959680 0.68 ALDH1A1 (0.50) ALDH1A1HTTHCAR1POLBMEN1
SCHEMBL2331621 0.68 MEN1 (0.51) ALDH1A1HTTESR1ESR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246808-B1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION BAYER SCHERING PHARMA AG (DE) 2011-08-17 — — EP disclosed
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 ALDH1A1 29/4885HTT 3722/4885HCAR1 570/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885HTT 2645/4885HCAR1 642/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885HTT 2645/4885HCAR1 642/4885

“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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