SCHEMBL4994663

SCHEMBL4994663

CC(C)(C)c1ccc(Oc2ccc(CNNC(N)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.56
NR1H4 Q96RI1 6/20 0.50
EPHX2 P34913 6/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
NR4A2 P43354 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL4990775 0.86 MAPK14 (0.56) EPHX2MEN1KMT2AALDH1A1
SCHEMBL4994474 0.84 MAPK14 (0.52) EPHX2NPC1RAB9AALDH1A1MAPT
SCHEMBL4992970 0.84 PARP10 (0.51) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL4985848 0.82 OPRM1 (0.51) HPGD
SCHEMBL4995830 0.81 ACACB (0.47) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4989136 0.81 CYP3A4 (0.48) EPHX2NR4A2
SCHEMBL4995481 0.81 CYP2C9 (0.56) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL7457448 0.81 SRD5A2 (0.47) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL8364280 0.80 EPHX1 (0.45) EPHX2
SCHEMBL5010339 0.79 S1PR1 (0.44) ALDH1A1HPGD

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 ESRRG 3444/4885NR1H4 1325/4885EPHX2 2152/4885
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof CACNA1B, CACNB2, CACNA1C ESRRG 3444/4885NR1H4 1325/4885EPHX2 2152/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C ESRRG 3444/4885NR1H4 1325/4885EPHX2 2152/4885

“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.