SCHEMBL4991933

SCHEMBL4991933

NC(=O)NNCc1ccc(Oc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.44
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP13 P45452 2/20 0.44
MMP14 P50281 2/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL16892226 0.82 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL918642 0.80 MMP1 (0.50) ALDH1A1MAPK1SMN1; SMN2CYP3A4NPC1
SCHEMBL16892220 0.80 SCN9A (0.55) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7454611 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1SMN1; SMN2CYP3A4NPC1
SCHEMBL16892164 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2CYP3A4NPC1
SCHEMBL7456542 0.77 MAPK14 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL4985848 0.77 OPRM1 (0.51) SMN1; SMN2CYP3A4HTTMMP13HPGD
SCHEMBL4987260 0.76 SLC1A3 (0.46) SCN9AMAOB
SCHEMBL4995873 0.76 NPC1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL4994474 0.76 MAPK14 (0.52) ALDH1A1MAPK1SMN1; SMN2CYP3A4NPC1

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-1058550-A4 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2002-12-18 EP claimed
US-6281211-B1 TREATING A DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2001-08-28 US claimed
EP-1058550-A1 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2000-12-13 EP claimed
WO-1999039712-A9 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF COCENSYS INC (US) 1999-10-21 WO claimed
WO-1999039712-A1 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF EURO-CELTIQUE S.A. (BE) 1999-08-12 WO claimed
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof PURDUE PHARMA L.P. (US) 2008-12-25 US disclosed
US-7393872-B2 Sodium channel blocker compositions and the use thereof EURO-CELTIQUE S.A. (LU) 2008-07-01 US disclosed
EP-1169060-B1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO CELTIQUE SA (LU) 2005-08-31 EP disclosed
US-20040054005-A1 Sodium channel blocker compositions and the use thereof PURDUE PHARMA L.P. 2004-03-18 US disclosed
EP-1058550-A4 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2002-12-18 EP 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
EP-1169060-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
US-6281211-B1 TREATING A DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2001-08-28 US disclosed
EP-1058550-A1 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2000-12-13 EP disclosed
WO-2000061188-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-19 WO disclosed
WO-1999039712-A9 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF COCENSYS INC (US) 1999-10-21 WO disclosed
WO-1999039712-A1 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF EURO-CELTIQUE S.A. (BE) 1999-08-12 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 (3 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-20040054005-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C ALDH1A1 1502/4885MAPK1 3855/4885SMN1; SMN2 590/4885
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof CACNA1B, CACNB2, CACNA1C ALDH1A1 1502/4885MAPK1 3855/4885SMN1; SMN2 590/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C ALDH1A1 1502/4885MAPK1 3855/4885SMN1; SMN2 590/4885

“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.