SCHEMBL8314729

SCHEMBL8314729

N=C1C(=O)N(c2ccsc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CES2 O00748 1/20 0.44
BCHE P06276 1/20 0.44
GAA P10253 1/20 0.44
TTR P02766 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 3/20 0.34
NR1H2 P55055 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
LRRK2 Q5S007 1/20 0.33
PDE6D O43924 1/20 0.33
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL915633 0.84 CES1 (0.64) CES1ALDH1A1NPSR1CES2BCHE
SCHEMBL8222319 0.80 ALDH1A1 (0.67) CES1ALDH1A1NPSR1CES2BCHE
SCHEMBL8980795 0.78 KMT2A (0.50) GAAMEN1KMT2ARAB9A
SCHEMBL7671087 0.76 MAPT (0.56) CES1ALDH1A1NPSR1CES2BCHE
SCHEMBL7671094 0.76 MAPT (0.56) CES1ALDH1A1NPSR1CES2BCHE
SCHEMBL8254529 0.74 NR1H3 (0.51) CES1ALDH1A1NPSR1CES2BCHE
SCHEMBL918427 0.73 TTR (0.47) CES1ALDH1A1NPSR1CES2BCHE
SCHEMBL918425 0.73 TTR (0.47) CES1ALDH1A1NPSR1CES2BCHE
SCHEMBL917768 0.72 GALR3 (0.55) TTR
SCHEMBL917766 0.72 GALR3 (0.55) TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957067-B1 INDOLONE COMPOUNDS USEFUL TO TREAT COGNITIVE IMPAIRMENT HELICON THERAPEUTICS INC (US) 2010-09-08 EP disclosed
EP-2140862-A2 Use of GAL 3 receptor antagonists for the treatment of depression and /or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
US-7465750-B2 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (US) 2008-12-16 US disclosed
WO-2004093789-A2 USE OF GALR3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-11-04 WO disclosed
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods SYNAPTIC PHARMACEUTICAL CORPORATION 2003-04-24 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 (1 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-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 CES1 3810/4885ALDH1A1 1921/4885NPSR1 225/4885

“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.