SCHEMBL6735300

SCHEMBL6735300

CC(C)(C)c1cc(C=[N+]([O-])Cc2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 3/20 0.42
TNFRSF1A P19438 1/20 0.42
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
GABBR2 O75899 2/20 0.39
GABBR1 Q9UBS5 2/20 0.39
GPR55 Q9Y2T6 1/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL13624831 0.88 ALDH1A1 (0.45) MEN1KMT2AGAAPTGS1PTGS2
SCHEMBL6726973 0.79 BCHE (0.34) TNFRSF1ABCHE
SCHEMBL268060 0.74 BCHE (0.41) MEN1KMT2AGAAMAOBBCHE
SCHEMBL20562244 0.74 BCHE (0.41) MEN1KMT2AGAAMAOBBCHE
SCHEMBL76727 0.74 BCHE (0.41) MEN1KMT2AGAAMAOBBCHE
SCHEMBL29094798 0.72 CYP19A1 (0.43) MEN1KMT2AMAOBPTGS1PTGS2
SCHEMBL6269589 0.72 SMN1; SMN2 (0.50) MEN1KMT2AGAAPTGS1PTGS2
SCHEMBL11578296 0.70 GAA (0.54) MEN1KMT2AGAAMAOBMAOA
SCHEMBL18308936 0.70 FNTA (0.43)
SCHEMBL29094803 0.70 HTT (0.42) HTTSMN1; SMN2L3MBTL1BCHEACHE

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-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2004-10-21 US claimed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 US claimed
US-6835754-B2 Administering alpha-(4-hydroxy-3,5-di-tert-butylphenyl)-N-tert-octylnitrone for example RENOVIS, INC. 2004-12-28 US disclosed
US-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2004-10-21 US disclosed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 US disclosed
WO-2002065993-A2 USE OF ARYL NITRONE COMPOUNDS IN METHODS FOR TREATING NEUROPATHIC PAIN CENTAUR PHARMACEUTICALS, INC. (US) 2002-08-29 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 (2 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-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRK1, OPRD1 SIRT1 2082/4885MEN1 4651/4885KMT2A 2183/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 SIRT1 2074/4885MEN1 4544/4885KMT2A 2422/4885

“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.