SCHEMBL1900773

SCHEMBL1900773

Cc1ccc(Cn2nc(C)cc2C(=O)Nc2ccc(C)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.90
MAPT P10636 3/20 0.90
KMT2A Q03164 2/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
MAPK1 P28482 3/20 0.61
MEN1 O00255 1/20 0.59
FLT1 P17948 2/20 0.58
KDR P35968 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54

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
SCHEMBL7744959 0.95 NPSR1 (1.00) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL144387 0.91 NPSR1 (0.76) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL147011 0.83 NPSR1 (0.65) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL7744394 0.83 NPSR1 (0.64) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL1897882 0.83 RAB9A (1.00) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL146791 0.82 NPSR1 (0.78) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL2079137 0.81 MAPT (0.62) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL1899459 0.80 NPSR1 (1.00) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL19710437 0.79 MAPT (0.60) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL17664559 0.79 POLB (0.60) NPSR1MAPTKMT2ANPC1RAB9A

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 8 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

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 NPSR1 1816/4885MAPT 1326/4885KMT2A 3870/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C NPSR1 1770/4885MAPT 1289/4885KMT2A 3999/4885

“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.