SCHEMBL4995873

SCHEMBL4995873

NC(=O)NNCc1ccc(Oc2ccc3c(c2)CCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
MAPK14 Q16539 1/20 0.51
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
ALOX12 P18054 1/20 0.48
RXRB P28702 4/20 0.48
RXRA P19793 3/20 0.48
RXRG P48443 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL7456542 0.99 MAPK14 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7450621 0.85 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL919168 0.79 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4985848 0.78 OPRM1 (0.51) SMN1; SMN2MAPK14HPGDHTTRECQL
SCHEMBL919061 0.78 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7452523 0.78 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4987260 0.77 SLC1A3 (0.46)
SCHEMBL4989136 0.76 CYP3A4 (0.48) SMN1; SMN2MAPK14LMNAGAA
SCHEMBL4994474 0.76 MAPK14 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7457448 0.76 SRD5A2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 NPC1 978/4885RAB9A 2550/4885SMN1; SMN2 590/4885
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof CACNA1B, CACNB2, CACNA1C NPC1 978/4885RAB9A 2550/4885SMN1; SMN2 590/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C NPC1 978/4885RAB9A 2550/4885SMN1; 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.