SCHEMBL6153962

SCHEMBL6153962

COc1cc(C=[N+]([O-])C(C)(C)C)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 3/20 0.55
APP P05067 7/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
USP2 O75604 1/20 0.49
NSD2 O96028 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL6154091 0.82 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL6153893 0.80 APP (0.51) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL19734612 0.80 APP (0.70) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL6154339 0.79 LCK (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6155316 0.78 APP (0.53) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL6155170 0.78 AMY1A (0.47) ALDH1A1MEN1KMT2A
SCHEMBL4903808 0.78 ALDH1A1 (0.76) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL5185813 0.78 ALDH1A1 (0.76) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL348043 0.77 APP (0.60) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL30341701 0.77 APP (0.60) ALDH1A1HPGDKDM4EAPPHTT

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 8 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
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-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

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 410/4885HPGD 283/4885KDM4E 3089/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA ALDH1A1 499/4885HPGD 277/4885KDM4E 2921/4885

“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.