SCHEMBL2327476

SCHEMBL2327476

O=[N+]([O-])c1cc2nc(-c3ccccc3)n(-c3ccccc3)c2c([N+](=O)[O-])c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ HCAR1 Q9BXC0 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ DCTPP1 Q9H773 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ CASP6 P55212 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPT P10636 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
SCHEMBL2323266 0.81 ALDH1A1 (0.51) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL2327209 0.81 ALDH1A1 (0.50) ALDH1A1HTTCRHBPCRHR2POLB
SCHEMBL29959680 0.75 ALDH1A1 (0.50) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL26693461 0.75 ALDH1A1 (0.50) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL2330523 0.74 LTB4R (0.43) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL18894351 0.74 ALDH1A1 (0.46) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL2323843 0.72 ALDH1A1 (0.36) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL15430958 0.70 ALDH1A1 (0.50) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL15430959 0.69 ALDH1A1 (0.49) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL2326368 0.67 ALDH1A1 (0.63) ALDH1A1HTTPOLBMEN1KMT2A

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 9 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
EP-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 — — EP disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 — — US disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 — — 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 (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 3722/4885CRHBP 4467/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885HTT 2645/4885CRHBP 4090/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885HTT 2645/4885CRHBP 4090/4885

“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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