SCHEMBL1903600

SCHEMBL1903600

Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
GRN P28799 1/20 0.60
SORT1 Q99523 1/20 0.60
NPSR1 Q6W5P4 2/20 0.59
BRAF P15056 2/20 0.56
MAPK14 Q16539 3/20 0.55
LMNA P02545 1/20 0.53
AAK1 Q2M2I8 1/20 0.53
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
CTSL P07711 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL1898147 0.91 LMNA (0.55) KDM4EGRNSORT1NPSR1BRAF
SCHEMBL1900620 0.87 MAPK14 (0.59) KDM4EGRNSORT1NPSR1BRAF
SCHEMBL1903709 0.86 MAPT (0.68) KDM4EGRNSORT1NPSR1BRAF
SCHEMBL4425426 0.84 NPSR1 (0.59) KDM4EGRNSORT1NPSR1MAPK14
SCHEMBL6059993 0.84 POLB (0.58) KDM4EGRNSORT1NPSR1MAPK14
SCHEMBL5906560 0.82 BRAF (0.54) KDM4EGRNSORT1NPSR1BRAF
SCHEMBL1897017 0.81 BRAF (0.58) KDM4EGRNSORT1NPSR1BRAF
SCHEMBL7862694 0.81 TSHR (0.59) KDM4EBRAFLMNAMEN1KMT2A
SCHEMBL1898164 0.80 NPSR1 (0.89) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL18407354 0.80 MAPK14 (0.81) MAPK14LMNAMAPK13MAPK12MAPK11

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 10 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-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO 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
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 KDM4E 2368/4885GRN 2010/4885SORT1 2444/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C KDM4E 2299/4885GRN 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.