SCHEMBL4994474

SCHEMBL4994474

Cc1ccc(Oc2ccc(CNNC(N)=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
MMP13 P45452 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MMP2 P08253 1/20 0.48
CYP3A4 P08684 1/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
PARP10 Q53GL7 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LTA4H P09960 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL10682559 0.90 SMN1; SMN2 (0.49) SMN1; SMN2PARP10ALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL3467437 0.89 SMN1; SMN2 (0.47) SMN1; SMN2PARP10ALDH1A1MAPTMAPK1
SCHEMBL4992970 0.88 PARP10 (0.51) SMN1; SMN2HTTPARP10ALDH1A1MAPT
SCHEMBL4992678 0.86 ALDH1A1 (0.50) MAPK14MMP13SMN1; SMN2HTTPARP10
SCHEMBL7451175 0.86 MMP13 (0.56) MAPK14MMP13SMN1; SMN2HTTALDH1A1
SCHEMBL4985848 0.86 OPRM1 (0.51) MAPK14MMP13SMN1; SMN2CYP3A4HTT
SCHEMBL4995830 0.85 ACACB (0.47) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4989136 0.84 CYP3A4 (0.48) MAPK14SMN1; SMN2CYP3A4PARP10EPHX2
SCHEMBL7457448 0.84 SRD5A2 (0.47) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4995481 0.84 CYP2C9 (0.56) MAPK14CYP3A4HTTALDH1A1EPHX2

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 MAPK14 4016/4885MMP13 2549/4885SMN1; SMN2 590/4885
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof CACNA1B, CACNB2, CACNA1C MAPK14 4016/4885MMP13 2549/4885SMN1; SMN2 590/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C MAPK14 4016/4885MMP13 2549/4885SMN1; 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.