SCHEMBL5014032

SCHEMBL5014032

Nc1cccc(-c2ccc(Br)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.50
MAOA P21397 1/20 0.47
PRF1 P14222 1/20 0.47
MAP4K4 O95819 3/20 0.46
HPGDS O60760 1/20 0.44
APP P05067 1/20 0.43
ESR1 P03372 2/20 0.43
ESRRG P62508 2/20 0.43
ESR2 Q92731 2/20 0.43
HSD17B1 P14061 4/20 0.42
HSD17B2 P37059 4/20 0.42
CASP1 P29466 2/20 0.41
CYP3A4 P08684 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL12491723 0.86 APP (0.58) MAOAPRF1MAP4K4HPGDSAPP
SCHEMBL9196846 0.80 SNCA (0.53) SNCAHSD17B1HSD17B2MAPTMEN1
SCHEMBL28188500 0.80 CYP3A4 (0.53) MAOAPRF1MAP4K4HPGDSAPP
SCHEMBL1773393 0.79 SNCA (0.50) SNCAHSD17B1HSD17B2CYP3A4MAPT
SCHEMBL20557695 0.77 MAP4K4 (0.50) MAOAPRF1MAP4K4HPGDSAPP
SCHEMBL28530288 0.77 SNCA (0.50) SNCAHSD17B1HSD17B2CYP3A4MAPT
SCHEMBL30469301 0.77 MAP4K4 (0.50) MAOAPRF1MAP4K4HPGDSAPP
SCHEMBL6804438 0.77 HSD17B1 (0.59) MAOAPRF1MAP4K4HPGDSAPP
SCHEMBL2778388 0.76 SNCA (0.61) SNCAAPPESR1ESR2MAPT
SCHEMBL3329598 0.75 RAB9A (0.52) SNCAAPPESR1ESR2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
CN-101124232-A Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
EP-1831231-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065209-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 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 (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-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNA2, CHRNB1 SNCA 1533/4885MAOA 653/4885PRF1 4791/4885

“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.