SCHEMBL1899142

SCHEMBL1899142

CC(C)(C)c1cc(C(=O)NCCc2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
TASP1 Q9H6P5 1/20 0.65
MAPT P10636 4/20 0.56
GAA P10253 4/20 0.56
MAPK1 P28482 2/20 0.56
NPSR1 Q6W5P4 6/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
GRN P28799 3/20 0.54
SORT1 Q99523 3/20 0.54
ALDH1A1 P00352 2/20 0.52
AGTR1 P30556 1/20 0.52
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL1900846 0.90 NPC1 (0.70) NPC1TASP1MAPTGAAMAPK1
SCHEMBL1898696 0.84 TASP1 (0.81) NPC1TASP1MAPTGAAMAPK1
SCHEMBL7744999 0.83 TASP1 (0.55) NPC1TASP1MAPTGAAMAPK1
SCHEMBL3064847 0.81 NPC1 (1.00) NPC1TASP1MAPTGAAMAPK1
SCHEMBL891786 0.80 SNCA (0.59) MAPTGAAMAPK1NPSR1CRHBP
SCHEMBL1899805 0.80 NPC1 (0.72) NPC1TASP1MAPTGAAMAPK1
SCHEMBL10069051 0.79 TASP1 (1.00) NPC1TASP1MAPTGAAMAPK1
SCHEMBL7744833 0.78 NPC1 (0.55) NPC1TASP1MAPTGAAMAPK1
SCHEMBL1898992 0.77 NPC1 (0.68) NPC1TASP1MAPTGAAMAPK1
SCHEMBL28820566 0.77 CNR2 (0.65) NPC1MAPTGAAMAPK1NPSR1

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
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B NPC1 970/4885TASP1 1739/4885MAPT 1326/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C NPC1 1008/4885TASP1 2005/4885MAPT 1289/4885

“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.