SCHEMBL4987260

SCHEMBL4987260

NC(=O)NNCc1ccc(Oc2ccc(F)c(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
SOS1 Q07889 2/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PPARA Q07869 2/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
SCN3A Q9NY46 1/20 0.39
VNN1 O95497 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
DRD2 P14416 2/20 0.37
ADRA1A P35348 2/20 0.37
SCN9A Q15858 2/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4989136 0.85 CYP3A4 (0.48) MAOBSCN9A
SCHEMBL7459589 0.84 CARM1 (0.40) MAOAMAOBPPARACARM1PRMT6
SCHEMBL4995481 0.82 CYP2C9 (0.56) PPARACARM1PRMT6CYP2C9CYP2C19
SCHEMBL4985848 0.81 OPRM1 (0.51) OPRM1OPRD1OPRK1
SCHEMBL4995320 0.81 SCN9A (0.49) PPARASCN9ACYP2C9CYP2C19
SCHEMBL7465972 0.80 PTGER4 (0.47) MAOAMAOBCARM1PRMT6OPRM1
SCHEMBL4994474 0.80 MAPK14 (0.52) MAOBOPRM1OPRD1OPRK1
SCHEMBL4992970 0.80 PARP10 (0.51) CARM1PRMT6VNN1
SCHEMBL7457448 0.80 SRD5A2 (0.47) MAOBPPARAOPRM1OPRD1OPRK1
SCHEMBL4990775 0.79 MAPK14 (0.56) MAOBPPARASCN9A

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 SLC1A3 346/4885SLC1A2 266/4885SLC1A1 292/4885
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof CACNA1B, CACNB2, CACNA1C SLC1A3 346/4885SLC1A2 266/4885SLC1A1 292/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C SLC1A3 346/4885SLC1A2 266/4885SLC1A1 292/4885

“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.