SCHEMBL5010339

SCHEMBL5010339

CCCCc1ccc(Oc2ccc(CNNC(N)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
PLK1 P53350 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.42
THRA P10827 1/20 0.41
POLB P06746 1/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40

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
SCHEMBL4995830 0.92 ACACB (0.47) PLK1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7990374 0.89 FFAR1 (0.50) ALDH1A1GAAHTT
SCHEMBL4992970 0.82 PARP10 (0.51) ALDH1A1HPGDHTT
SCHEMBL4994474 0.82 MAPK14 (0.52) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL4985848 0.81 OPRM1 (0.51) OPRM1OPRD1OPRK1HPGDLMNA
SCHEMBL7457448 0.80 SRD5A2 (0.47) OPRM1OPRD1OPRK1ALDH1A1GAA
SCHEMBL4989136 0.80 CYP3A4 (0.48) LMNAGAA
SCHEMBL4995481 0.80 CYP2C9 (0.56) ALDH1A1HPGDGAAHTT
SCHEMBL8364280 0.79 EPHX1 (0.45) LMNA
SCHEMBL4994663 0.79 ESRRG (0.56) 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 5 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
US-6281211-B1 TREATING A DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2001-08-28 US 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 S1PR1 1487/4885S1PR3 1057/4885PLK1 4410/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C S1PR1 1487/4885S1PR3 1057/4885PLK1 4410/4885

“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.