SCHEMBL1898402

SCHEMBL1898402

CCn1nc(-c2cccs2)cc1C(=O)NCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
TAAR1 Q96RJ0 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3064335 0.80 L3MBTL1 (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL7744999 0.79 TASP1 (0.55) SMN1; SMN2ALDH1A1HPGDTAAR1NPC1
SCHEMBL1898414 0.76 MAPT (0.50) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL1900139 0.75 POLB (0.53) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL595201 0.71 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HPGDKMT2AMEN1
SCHEMBL4284349 0.71 RAB9A (0.78) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL1899260 0.69 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL12191001 0.69 RAB9A (0.56) SMN1; SMN2ALDH1A1HPGDTAAR1NPC1
SCHEMBL6677433 0.69 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL9909953 0.68 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A

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 SMN1; SMN2 754/4885ALDH1A1 1123/4885HPGD 1030/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C SMN1; SMN2 702/4885ALDH1A1 1193/4885HPGD 800/4885

“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.