SCHEMBL2957696

SCHEMBL2957696

COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 1/20 0.65
▸ MAPT P10636 8/20 0.64
▸ MEN1 O00255 7/20 0.64
▸ KMT2A Q03164 7/20 0.64
▸ LMNA P02545 4/20 0.64
▸ HTT P42858 3/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ GAA P10253 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ STAT1 P42224 1/20 0.64
▸ NPBWR1 P48145 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ SAE1 Q9UBE0 1/20 0.64
▸ UBA2 Q9UBT2 1/20 0.64
▸ MAPK14 Q16539 4/20 0.62
▸ ALDH1A1 P00352 4/20 0.62

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
SCHEMBL2125126 0.89 MAPT (0.75) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2954980 0.87 ALOX5 (0.60) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL15400824 0.86 NOX1 (0.85) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL8008805 0.86 NOX1 (0.85) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL2127659 0.83 KMT2A (0.68) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL9514606 0.83 KMT2A (0.68) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL7977701 0.83 MAPT (0.59) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL11273959 0.82 NOX1 (0.54) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL3455232 0.81 NOX1 (0.77) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL6465023 0.81 NOX1 (0.60) NOX1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 — — US claimed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 — — US claimed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 — — EP claimed
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 — — US claimed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 — — EP claimed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 — — WO claimed
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 — — US disclosed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 — — US disclosed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 — — EP disclosed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 — — EP disclosed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 — — 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 (1 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-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections CSNK1G1, CSNK1E, CSNK1D NOX1 2876/4885MAPT 1480/4885MEN1 4673/4885

“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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