SCHEMBL5216052

SCHEMBL5216052

Nc1ccc2nc(NCCCCO)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GFER P55789 1/20 0.47
ILK Q13418 1/20 0.45
GAA P10253 3/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43
QPCT Q16769 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL21588479 0.90 SMN1; SMN2 (0.50) RIPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18384865 0.81 RIPK1 (0.55) RIPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5212426 0.81 RIPK1 (0.76) RIPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL21814781 0.80 DYRK1A (0.54) RIPK1GAAQPCTHSD17B10
SCHEMBL22039978 0.80 NPC1 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL21413278 0.78 NPC1 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL22039980 0.78 NPC1 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7984841 0.78 SMN1; SMN2 (0.56) RIPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3748870 0.78 SMN1; SMN2 (0.49) RIPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13994543 0.78 SMN1; SMN2 (0.49) RIPK1SMN1; SMN2NPC1RAB9AMEN1

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 RIPK1 3620/4885SMN1; SMN2 71/4885NPC1 689/4885

“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.