SCHEMBL5983928

SCHEMBL5983928

COCOc1c(C(C)(C)C)cc(C=[N+]([O-])C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5984261 0.88 ALDH1A1 (0.30) ALDH1A1TSHRTDP1
SCHEMBL6731668 0.86 RXRA (0.32) ALDH1A1TSHRTDP1
SCHEMBL6734122 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL6726973 0.79 BCHE (0.34)
SCHEMBL5984227 0.78 GABBR2 (0.34) ALDH1A1TSHRTDP1
SCHEMBL6731511 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6729370 0.77
SCHEMBL6270579 0.76 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL6727016 0.75
SCHEMBL5985540 0.75 VCAM1 (0.35) ALDH1A1TSHRTDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998419-B2 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. (US) 2006-02-14 US claimed
US-20050215646-A1 Methods for treating multiple sclerosis and pharmaceutical compositions therefor RENOVIS, INC. 2005-09-29 US claimed
WO-2005087214-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS AND PHARMACEUTICAL COMPOSITIONS THEREFOR RENOVIS, INC. (US) 2005-09-22 WO claimed
US-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2004-10-07 US claimed
US-20030078297-A1 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2003-04-24 US claimed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 US claimed
US-6342523-B1 DRUGS AND ANTIINFLAMMATORY AGENTS CENTAUR PHARMACEUTICALS, INC. 2002-01-29 US claimed
US-6998419-B2 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. (US) 2006-02-14 US disclosed
US-20050215646-A1 Methods for treating multiple sclerosis and pharmaceutical compositions therefor RENOVIS, INC. 2005-09-29 US disclosed
WO-2005087214-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS AND PHARMACEUTICAL COMPOSITIONS THEREFOR RENOVIS, INC. (US) 2005-09-22 WO disclosed
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-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2004-10-07 US disclosed
US-20030078297-A1 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2003-04-24 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
CN-1334800-A 3,4,5-trisubstd. aryl nitrone compounds and pharmaceutical compositions contg. same CENTAUR PHARMACEUTICALS INC (US) 2002-02-06 CN disclosed
US-6342523-B1 DRUGS AND ANTIINFLAMMATORY AGENTS CENTAUR PHARMACEUTICALS, INC. 2002-01-29 US disclosed
EP-1135367-A1 3,4,5-TRISUBSTITUTED ARYL NITRONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Centaur Pharmaceuticals, Inc. (US) 2001-09-26 EP disclosed
WO-2000032567-A1 3,4,5-TRISUBSTITUTED ARYL NITRONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 2000-06-08 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 (5 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 ALDH1A1 219/4885TSHR 2366/4885TDP1 814/4885
US-20030078297-A1 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same NOS1, NOS3, CBR1 ALDH1A1 121/4885TSHR 1520/4885TDP1 693/4885
US-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same NOS1, NOS3, CBR1 ALDH1A1 114/4885TSHR 1875/4885TDP1 891/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 ALDH1A1 200/4885TSHR 3060/4885TDP1 681/4885
US-20050215646-A1 Methods for treating multiple sclerosis and pharmaceutical compositions therefor CCL11, TXNRD3, CX3CR1 ALDH1A1 1148/4885TSHR 2915/4885TDP1 2713/4885

“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.