SCHEMBL5010338

SCHEMBL5010338

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HSP90AA1 P07900 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7460572 0.88 FFAR1 (0.53) NPC1RAB9AHSP90AA1L3MBTL1ALDH1A1
SCHEMBL8364280 0.82 EPHX1 (0.45) ACACBCARM1PRMT6EPHX2PPARG
SCHEMBL4995830 0.81 ACACB (0.47) NPC1RAB9AALDH1A1ACACBACACA
SCHEMBL4992970 0.80 PARP10 (0.51) NPC1RAB9AALDH1A1CARM1PRMT6
SCHEMBL4994474 0.80 MAPK14 (0.52) NPC1RAB9AALDH1A1MAPTEPHX2
SCHEMBL4985848 0.79 OPRM1 (0.51) SMN1; SMN2
SCHEMBL5010339 0.78 S1PR1 (0.44) ALDH1A1GAA
SCHEMBL7457448 0.77 SRD5A2 (0.47) NPC1RAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL4989136 0.77 CYP3A4 (0.48) GAAEPHX2SMN1; SMN2
SCHEMBL4995481 0.77 CYP2C9 (0.56) NPC1RAB9AL3MBTL1ALDH1A1CARM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281211-B1 TREATING A DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2001-08-28 US claimed
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof PURDUE PHARMA L.P. (US) 2008-12-25 US disclosed
EP-1169060-B1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO CELTIQUE SA (LU) 2005-08-31 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
US-6281211-B1 TREATING A DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2001-08-28 US disclosed
WO-1999039712-A9 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF COCENSYS INC (US) 1999-10-21 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 (2 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-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof CACNA1B, CACNB2, CACNA1C NPC1 978/4885RAB9A 2550/4885HSP90AA1 2524/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C NPC1 978/4885RAB9A 2550/4885HSP90AA1 2524/4885

“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.