SCHEMBL6153879

SCHEMBL6153879

CCOc1ccccc1C=[N+]([O-])C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 4/20 0.40
ALOX12 P18054 2/20 0.40
BCHE P06276 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NTSR1 P30989 1/20 0.36
CCR6 P51684 1/20 0.36
MCL1 Q07820 1/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL6155708 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6153923 0.99 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6155768 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL8102943 0.82 POLB (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7157105 0.79 CYP1A2 (0.37) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL6154647 0.75 NPBWR1 (0.39) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6154511 0.74 PTGS2 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6154189 0.74 PTGS2 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6154696 0.74 AMY1A (0.45) ALDH1A1KMT2AHPGDNPBWR1MCHR1
SCHEMBL6153864 0.74 POLB (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025079-B1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME RENOVIS INC (US) 2005-02-02 EP claimed
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same RENOVIS, INC. 2003-05-08 US claimed
EP-1077694-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP claimed
US-6083989-A ADMINISTERING TO THE PATIENT SUFFERING FROM INFLAMMATORY BOWL MOVEMENT AN N-SUBSTITUTED ARYL NITRON COMPOUND OR SALT CENTAUR PHARMACEUTICALS, INC. (US) 2000-07-04 US claimed
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 claimed
WO-1999059576-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO claimed
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-6258852-B1 NITRONE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISEASE CENTAUR PHARMACEUTICALS, INC. 2001-07-10 US disclosed
EP-1077694-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP disclosed
EP-1025079-A1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 2000-08-09 EP disclosed
US-6083989-A ADMINISTERING TO THE PATIENT SUFFERING FROM INFLAMMATORY BOWL MOVEMENT AN N-SUBSTITUTED ARYL NITRON COMPOUND OR SALT CENTAUR PHARMACEUTICALS, INC. (US) 2000-07-04 US 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
WO-1999059576-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed
WO-1999020601-A1 α-ARYL-N-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 1999-04-29 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-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA ALDH1A1 410/4885KDM4E 3089/4885MEN1 2880/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA ALDH1A1 499/4885KDM4E 2921/4885MEN1 3044/4885

“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.