SCHEMBL2331621

SCHEMBL2331621

O=[N+]([O-])c1cccc(-n2c(-c3ccccc3)nc3ccc(O)cc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ POLB P06746 3/20 0.51
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ LMNA P02545 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ AHR P35869 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HTT P42858 3/20 0.49
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ ELANE P08246 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
SCHEMBL9284465 0.88 ESR1 (0.59) MEN1KMT2AGAAALDH1A1POLB
SCHEMBL2326368 0.88 ALDH1A1 (0.63) MEN1KMT2AGAAALDH1A1POLB
SCHEMBL28142270 0.87 ALDH1A1 (0.56) MEN1KMT2AGAAALDH1A1POLB
SCHEMBL2328330 0.83 ESR2 (0.70) MEN1KMT2AGAAALDH1A1ESR1
SCHEMBL2327124 0.82 GAA (0.56) MEN1KMT2AGAAALDH1A1ESR1
SCHEMBL2323600 0.81 ESR1 (0.57) MEN1KMT2AGAAALDH1A1POLB
SCHEMBL28283489 0.81 ALDH1A1 (0.65) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL8025343 0.80 HTT (0.58) MEN1KMT2AALDH1A1POLBESR1
SCHEMBL5580001 0.79 ESR2 (0.68) MEN1KMT2AGAAALDH1A1ESR1
SCHEMBL9278243 0.79 RAB9A (0.49) MEN1KMT2AALDH1A1POLBRAB9A

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 12 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
CN-1301975-C 1,2-diaryl benzimidazole derivative for treating illnesses associated with microglia activation SCHERING AG (DE) 2007-02-28 — — CN 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
CN-1395568-A 1,2-diaryl benzimidazole derivative for treating illnesses associated with microglia activation SCHERING AG (DE) 2003-02-05 — — CN 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
WO-1995007263-A1 1,2-DI(HETERO)ARYLBENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROSTACYCLIN (PGI2) MIMETICS SCHERING AKTIENGESELLSCHAFT (DE) 1995-03-16 — — 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 MEN1 3010/4885KMT2A 3421/4885GAA 238/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MEN1 3216/4885KMT2A 2759/4885GAA 229/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MEN1 3216/4885KMT2A 2759/4885GAA 229/4885

“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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