SCHEMBL2160179

SCHEMBL2160179

CCCCCC(C)(C)[N+]([O-])=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GALR3 O60755 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
GPR55 Q9Y2T6 1/20 0.37
NR1I2 O75469 1/20 0.37
HMGCR P04035 1/20 0.37
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RGS12 O14924 1/20 0.37
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37

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
SCHEMBL8144830 0.84 PTGS1 (0.36) PTGS2PTGS1CYP1A2CYP2C9CYP3A4
SCHEMBL6738999 0.84 SMN1; SMN2 (0.45) SMN1; SMN2HTTMEN1KMT2AGALR3
SCHEMBL6731121 0.81 ALOX5 (0.34) L3MBTL1GPR55NPSR1GAA
SCHEMBL6738995 0.81 MEN1 (0.45) SMN1; SMN2HTTMEN1KMT2AGALR3
SCHEMBL6269589 0.77 SMN1; SMN2 (0.50) SMN1; SMN2HTTMEN1KMT2AGALR3
SCHEMBL8141137 0.75 TDP1 (0.46) KMT2AL3MBTL1ALDH1A1LMNAGAA
SCHEMBL8414020 0.74 TYR (0.36) HTTMEN1KMT2AL3MBTL1PTGS2
SCHEMBL15299843 0.70 HTT (0.46) SMN1; SMN2HTTMEN1KMT2AGABBR2
SCHEMBL6071609 0.70 HTT (0.46) SMN1; SMN2HTTMEN1KMT2AGABBR2
SCHEMBL6154475 0.69 PTGS2 (0.43) SMN1; SMN2HTTMEN1KMT2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2004-10-21 US claimed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 US claimed
WO-2002065993-A2 USE OF ARYL NITRONE COMPOUNDS IN METHODS FOR TREATING NEUROPATHIC PAIN CENTAUR PHARMACEUTICALS, INC. (US) 2002-08-29 WO claimed
EP-0724565-A1 NOVEL SPIN TRAP NITRONYL HINDERED PHENOLS Oklahoma Medical Research Foundation (US) 1996-08-07 EP claimed
US-5527828-A Spin trap nitronyl hindered phenols OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1996-06-18 US claimed
WO-1995011227-A1 NOVEL SPIN TRAP NITRONYL HINDERED PHENOLS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1995-04-27 WO claimed
US-8466319-B2 Preparation of nitrones ROHM AND HAAS COMPANY (US) 2013-06-18 US disclosed
US-8461387-B2 Preparation of nitrones ROHM AND HAAS COMPANY (US) 2013-06-11 US disclosed
US-20130072721-A1 PREPARATION OF NITRONES ROHM AND HAAS COMPANY (US) 2013-03-21 US disclosed
US-20130065806-A1 PREPARATION OF NITRONES ROHM AND HAAS COMPANY (US) 2013-03-14 US disclosed
US-8329949-B2 Preparation of nitrones ROHM AND HAAS COMPANY (US) 2012-12-11 US disclosed
EP-2060561-B1 Preparation Of Nitrones ROHM & HAAS (US) 2011-07-06 EP disclosed
US-20090126263-A1 Preparation of nitrones ROHM AND HAAS COMPANY 2009-05-21 US disclosed
US-5527828-A Spin trap nitronyl hindered phenols OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1996-06-18 US disclosed
US-5527828-A Spin trap nitronyl hindered phenols OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1996-06-18 US disclosed
US-5455272-A Free radical-scavenging antioxidant; cytoprotective agents, antiischemic agents OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1995-10-03 US disclosed
US-5455272-A Free radical-scavenging antioxidant; cytoprotective agents, antiischemic agents OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1995-10-03 US disclosed
WO-1995011227-B1 NOVEL SPIN TRAP NITRONYL HINDERED PHENOLS 1995-05-18 WO disclosed
WO-1995011227-A1 NOVEL SPIN TRAP NITRONYL HINDERED PHENOLS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1995-04-27 WO disclosed
WO-1995011227-A1 NOVEL SPIN TRAP NITRONYL HINDERED PHENOLS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1995-04-27 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 (4 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 SMN1; SMN2 20/4885HTT 1120/4885MEN1 4651/4885
US-20090126263-A1 Preparation of nitrones NOS2, NOS1, CBR1 SMN1; SMN2 685/4885HTT 3281/4885MEN1 1351/4885
US-20130072721-A1 PREPARATION OF NITRONES NOS2, NOS1, CBR1 SMN1; SMN2 685/4885HTT 3281/4885MEN1 1351/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 SMN1; SMN2 13/4885HTT 1060/4885MEN1 4544/4885

“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.