SCHEMBL920846

SCHEMBL920846

CC(C)(NCc1ccc(Oc2ccncc2)cc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.47
CYP3A4 P08684 4/20 0.47
MMP13 P45452 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MMP2 P08253 1/20 0.47
STAT3 P40763 1/20 0.47
LMNA P02545 2/20 0.45
ACACB O00763 1/20 0.43
KDM4C Q9H3R0 1/20 0.41
MMP1 P03956 2/20 0.41
RAF1 P04049 4/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SCN9A Q15858 1/20 0.39
RIPK2 O43353 1/20 0.39

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
SCHEMBL918991 0.86 MAPK14 (0.50) MAPK14CYP3A4MMP13HTTSMN1; SMN2
SCHEMBL15377800 0.85 MAPK14 (0.42) MAPK14CYP3A4MMP13HTTSMN1; SMN2
SCHEMBL919807 0.84 CYP2C19 (0.47) MAPK14CYP3A4HTTRAB9AALDH1A1
SCHEMBL919163 0.84 SCN9A (0.47) MAPK14CYP3A4MMP13MMP2MMP1
SCHEMBL919803 0.84 MEN1 (0.43) HTTSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL919293 0.81 SCN9A (0.42) MAPK14CYP3A4MMP13MMP2MMP1
SCHEMBL919294 0.80 SLC1A3 (0.44) MAPK14MMP13MMP2MMP1SCN9A
SCHEMBL919046 0.80 MMP13 (0.49) MMP13RAB9A
SCHEMBL920087 0.79 ALDH1A1 (0.48) CYP3A4HTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL919061 0.78 SMN1; SMN2 (0.46) MAPK14HTTSMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-11-14 US claimed
US-20060217403-A1 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY 2006-09-28 US claimed
EP-1032377-A4 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2006-06-14 EP claimed
US-20030130295-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2003-07-10 US claimed
US-6500825-B2 SODIUM CHANNEL BLOCKERS USED TO TREAT AMYOTROPHIC LATERAL SCLEROSIS; ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS, LOCAL ANESTHETICS AND ANTIARRHYTHMICS EURO-CELTIQUE S.A. (LU) 2002-12-31 US claimed
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2002-02-07 US claimed
EP-1032377-A1 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2000-09-06 EP claimed
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-11-14 US disclosed
US-8426431-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-04-23 US disclosed
US-20110269785-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2011-11-03 US disclosed
US-7872127-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2011-01-18 US disclosed
EP-2201944-A2 Substituted 2-Aminoacetamides and the Use Thereof Purdue Neuroscience Company (US) 2010-06-30 EP disclosed
EP-2201945-A2 Substituted 2-Aminoacetamides and the Use Thereof Purdue Neuroscience Company (US) 2010-06-30 EP disclosed
US-6500825-B2 SODIUM CHANNEL BLOCKERS USED TO TREAT AMYOTROPHIC LATERAL SCLEROSIS; ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS, LOCAL ANESTHETICS AND ANTIARRHYTHMICS EURO-CELTIQUE S.A. (LU) 2002-12-31 US disclosed
US-6479484-B1 SUBSTITUTED 2-AMINOACETAMIDES AND THE DISCOVERY THAT THESE COMPOUNDS ACT AS BLOCKERS OF SODIUM CHANNELS; PAIN RELIEVERS, TREATMENT OF ARRYTHMIA, LOCAL ANESTHETICS EURO-CELTIQUE S.A. (LU) 2002-11-12 US disclosed
US-20020037926-A1 Sodium channel blocker compositions and the use thereof PURDUE PHARMA LTD. 2002-03-28 US disclosed
WO-2000061188-A9 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO CELTIQUE SA (LU) 2002-02-14 WO disclosed
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2002-02-07 US disclosed
EP-1169060-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
WO-2000061188-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-19 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 (6 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-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A MAPK14 2405/4885CYP3A4 772/4885MMP13 2548/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C MAPK14 4016/4885CYP3A4 1339/4885MMP13 2549/4885
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, SLC1A1, SCN2A MAPK14 2070/4885CYP3A4 2066/4885MMP13 968/4885
US-20030130295-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, GAP43, SCN2A MAPK14 2275/4885CYP3A4 710/4885MMP13 2695/4885
US-20110269785-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A MAPK14 2405/4885CYP3A4 772/4885MMP13 2548/4885
US-20060217403-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, GAP43, SCN2A MAPK14 2243/4885CYP3A4 784/4885MMP13 2390/4885

“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.