SCHEMBL1897360

SCHEMBL1897360

CC(C)(C)c1cc(C(N)=O)n(Cc2ccccc2)n1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 5/20 0.80
▸ SORT1 Q99523 5/20 0.80
▸ NPSR1 Q6W5P4 7/20 0.65
▸ GAA P10253 5/20 0.62
▸ MAPT P10636 5/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ AGTR1 P30556 1/20 0.62
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ RECQL P46063 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPC1 O15118 1/20 0.52

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
SCHEMBL3069753 0.89 GRN (1.00) GRNSORT1NPSR1GAAMAPT
SCHEMBL893061 0.87 GRN (0.82) GRNSORT1NPSR1GAAMAPT
SCHEMBL13219146 0.87 GRN (0.82) GRNSORT1NPSR1GAAMAPT
SCHEMBL19691155 0.87 MEN1 (0.66) GRNSORT1NPSR1GAAMAPT
SCHEMBL7744783 0.86 GRN (0.63) GRNSORT1NPSR1GAAMAPT
SCHEMBL7739174 0.84 GRN (0.76) GRNSORT1NPSR1GAAMAPT
SCHEMBL7744333 0.84 GRN (0.76) GRNSORT1NPSR1GAAMAPT
SCHEMBL6925308 0.84 GRN (0.76) GRNSORT1NPSR1GAAMAPT
SCHEMBL25346695 0.82 GRN (0.72) GRNSORT1NPSR1GAAMAPT
SCHEMBL1898164 0.82 NPSR1 (0.89) GRNSORT1NPSR1GAAMAPT

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-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 — — US claimed
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

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 GRN 2010/4885SORT1 2444/4885NPSR1 1816/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C GRN 1919/4885SORT1 2364/4885NPSR1 1770/4885

“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.

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