SCHEMBL6153742

SCHEMBL6153742

COc1ccccc1C=[N+]([O-])C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.44
TRPA1 O75762 1/20 0.44
TFEB P19484 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1B1 Q16678 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PRMT1 Q99873 1/20 0.41
AR P10275 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5549224 0.81 ALDH1A1 (0.44) ALDH1A1TDP1CYP1A2KDM4ENPC1
SCHEMBL7897440 0.80 ALDH1A1 (0.37) ALDH1A1TDP1KDM4ENPC1MAPT
SCHEMBL7922797 0.80 HTR2A (0.39) NFE2L2ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL8012066 0.79 PTGS2 (0.42) ALDH1A1TDP1CYP1A2KDM4EAR
SCHEMBL6155476 0.79 CYP1A2 (0.46) ALDH1A1TDP1CYP1A2NPC1MAPT
SCHEMBL7091621 0.78 CCNB2 (0.50) ALDH1A1TDP1CYP1A2KDM4ENPC1
SCHEMBL4710041 0.78 LMNA (0.38) ALDH1A1ARMAPTMAPK1MEN1
SCHEMBL28558607 0.77 ALDH1A1 (0.45) ALDH1A1TDP1CYP1A2KDM4EMAPT
SCHEMBL7158410 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTMAPK1
SCHEMBL11410414 0.75 NFE2L2 (0.49) NFE2L2TRPA1TFEBALDH1A1TDP1

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
US-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same KELLEHER JUDITH A (US) 2005-06-09 US disclosed
EP-1025079-B1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME RENOVIS INC (US) 2005-02-02 EP disclosed
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same RENOVIS, INC. 2003-05-08 US disclosed
US-6441032-B1 TREATING SYSTEMIC LUPIS AND MULTIPLE SCLEROSIS CENTAUR PHARMACEUTICALS, INC. 2002-08-27 US disclosed
US-6433008-B1 TREATING PARKINSON*S, ALZHEIMER*S, AUTOIMMUNE AND RHEUMATIC DISEASES; HUMAN IMMUNODEFICIENCY VIRUS (HIV) DEMENTIA, AND INFLAMMATION CENTAUR PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-6194461-B1 USEFUL AS MEDICAMENT FOR TREATING RETINAL DEGENERATIVE DISORDERS; ALPHA-(2,4-DIFLUOROPHENYL)-N-T-BUTYLNITRONE, AND CORRESPONDING AMINES WHICH WOULD BE CONVERTED IN VIVO TO THE NITRONE, FOR EXAMPLE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-02-27 US disclosed
CN-1281432-A alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing them CENTAUR PHARMACEUTICALS INC (US) 2001-01-24 CN disclosed
US-6046232-A THERAPEUTICS FOR TREATING AND/OR PREVENTING NEUROLOGICAL, AUTOIMMUNE AND INFLAMMATORY CONDITIONS IN MAMMALS AND AS ANALYTICAL REAGENTS FOR DETECTING FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-04 US disclosed
EP-0945426-A1 NITRONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-29 EP 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-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA NFE2L2 73/4885TRPA1 2148/4885TFEB 1735/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA NFE2L2 100/4885TRPA1 2256/4885TFEB 1701/4885

“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.