SCHEMBL5216183

SCHEMBL5216183

Nc1ccc2nc(NCCc3cnc[nH]3)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ILK Q13418 4/20 0.52
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
HRH3 Q9Y5N1 5/20 0.45
PRKACA P17612 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5218146 0.83 RIPK1 (0.61) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL5305295 0.76 NPC1 (0.70) PRKACAMEN1ALDH1A1MAPTKMT2A
SCHEMBL1678647 0.76 NOS3 (0.69) ILKNOS3NOS1NOS2
SCHEMBL21588479 0.75 SMN1; SMN2 (0.50) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL18384865 0.75 RIPK1 (0.55) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL1678641 0.74 NOS3 (0.48) ILKPIK3CAPIK3CGHRH3NOS3
SCHEMBL5219432 0.74 NPC1 (0.52) ALDH1A1MAPTNPC1RAB9A
SCHEMBL5215893 0.72 NOS3 (0.60) HRH3PRKACANOS3NOS1NOS2
SCHEMBL5183026 0.72 HRH3 (0.72) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL7984841 0.72 SMN1; SMN2 (0.56) PIK3CAPIK3CGMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539724-B1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2007-10-10 EP disclosed
EP-1539724-B1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2007-10-10 EP disclosed
US-7141595-B2 Amino benzothiazole compounds with NOS inhibitory activity NEURAXON INC. (CA) 2006-11-28 US disclosed
US-20050209291-A1 N-(2-Amino-benzothiazol-6-yl)-ethylthiocarboximidamide or other amino benzothiazole derivatives as neuroprotectants and for the treatment of neuropathic pain NEURAXON INC. (CA) 2005-09-22 US disclosed
EP-1539724-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2005-06-15 EP disclosed
WO-2004014885-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2004-02-19 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-20050209291-A1 N-(2-Amino-benzothiazol-6-yl)-ethylthiocarboximidamide or other amino benzothiazole derivatives as neuroprotectants and for the treatment of neuropathic pain GAP43, NLN, TRPV1 ILK 2264/4885PIK3CA 4127/4885PIK3CG 3245/4885

“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.