SCHEMBL3064847

SCHEMBL3064847

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 1.00
GRN P28799 7/20 0.65
SORT1 Q99523 7/20 0.65
TASP1 Q9H6P5 1/20 0.64
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51
MAPT P10636 2/20 0.49
SLC16A3 O15427 2/20 0.49
SLC16A1 P53985 2/20 0.49
MCTS1 Q9ULC4 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL1898696 0.84 TASP1 (0.81) NPC1GRNSORT1TASP1NPSR1
SCHEMBL1899805 0.84 NPC1 (0.72) NPC1TASP1NPSR1MAPTCRHBP
SCHEMBL1900846 0.83 NPC1 (0.70) NPC1GRNSORT1TASP1NPSR1
SCHEMBL17727586 0.82 NPC1 (0.69) NPC1NPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL1898992 0.81 NPC1 (0.68) NPC1TASP1NPSR1MAPTCRHBP
SCHEMBL1899142 0.81 NPC1 (0.67) NPC1GRNSORT1TASP1NPSR1
SCHEMBL13990277 0.80 NPC1 (0.67) NPC1TASP1NPSR1CYP1A2CYP3A4
SCHEMBL13990665 0.80 NPC1 (0.67) NPC1GRNSORT1TASP1NPSR1
SCHEMBL24283481 0.79 GRN (1.00) NPC1GRNSORT1NPSR1MAPT
SCHEMBL1903539 0.79 TASP1 (0.65) NPC1TASP1NPSR1MAPTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 970/4885GRN 2010/4885SORT1 2444/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C NPC1 1008/4885GRN 1919/4885SORT1 2364/4885

“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.