SCHEMBL5215893

SCHEMBL5215893

Nc1ccc2nc(NCCc3ccccn3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.60
NOS1 P29475 2/20 0.60
NOS2 P35228 1/20 0.60
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 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
SCHEMBL23965785 0.88 MAOA (0.52) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL14394876 0.84 NPC1 (0.65) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL5213462 0.83 RIPK1 (0.62) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL5305295 0.82 NPC1 (0.70) NPC1RAB9ACYP1A2ALDH1A1MAPT
SCHEMBL3282542 0.80 NOS3 (0.48) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL23965829 0.79 GAA (0.48) NPC1RAB9AALDH1A1MAPTPKM
SCHEMBL21588479 0.76 SMN1; SMN2 (0.50) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL18384865 0.76 RIPK1 (0.55) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL1678355 0.76 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL5219432 0.75 NPC1 (0.52) NPC1RAB9ACYP1A2ALDH1A1MAPT

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 NOS3 377/4885NOS1 670/4885NOS2 363/4885

“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.