SCHEMBL6154710

SCHEMBL6154710

CC(C)[N+]([O-])=Cc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
APP P05067 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 1/20 0.46
PTPN1 P18031 1/20 0.45
GSK3B P49841 1/20 0.45
BACE1 P56817 1/20 0.45
NR4A2 P43354 1/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
MAOA P21397 1/20 0.44
ADAMTS4 O75173 1/20 0.44
PARP10 Q53GL7 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL6155339 0.86 CYP1A2 (0.48) MAOBCA12CA1CA2CA7
SCHEMBL6156047 0.81 MAOB (0.49) MAOBAPPCA12CA1CA2
SCHEMBL6154562 0.77 PTGS2 (0.51) MAOBCA12CA1CA2CA7
SCHEMBL6155254 0.75 TSHR (0.46) MAOBAPPCA12CA1CA2
SCHEMBL27550091 0.74 MAOB (0.80) MAOBAPPCA12CA1CA2
SCHEMBL3710746 0.74 ALDH1A1 (0.63) MAOBAPPTSHRGSK3BBACE1
SCHEMBL3710745 0.74 ALDH1A1 (0.63) MAOBAPPTSHRGSK3BBACE1
SCHEMBL3710743 0.74 ALDH1A1 (0.63) MAOBAPPTSHRGSK3BBACE1
SCHEMBL6155177 0.74 TSHR (0.45) MAOBAPPCA12CA1CA2
SCHEMBL9891035 0.73 NPC1 (0.41) TSHR

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 MAOB 311/4885APP 36/4885CA12 4658/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA MAOB 224/4885APP 45/4885CA12 4669/4885

“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.