SCHEMBL1677802

SCHEMBL1677802

N=C(Nc1ccc2nc(NCCc3cccc(Cl)c3)sc2c1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
CSNK1D P48730 5/20 0.44
NPY1R P25929 3/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL14395070 0.86 RAB9A (0.48) HSD17B10CASP3SENP8SENP7SENP6
SCHEMBL1678134 0.85 RAB9A (0.48) HSD17B10CASP3SENP8SENP7SENP6
SCHEMBL1678356 0.83 NPC1 (0.51) HSD17B10CASP3SENP8SENP7SENP6
SCHEMBL1678352 0.81 NOS3 (0.65) HSD17B10CASP3SENP8SENP7SENP6
SCHEMBL1678137 0.80 RAB9A (0.53) HSD17B10CASP3SENP8SENP7SENP6
SCHEMBL1677803 0.80 NOS3 (0.69) NOS3NOS1NOS2
SCHEMBL1678641 0.79 NOS3 (0.48) HSD17B10CASP3SENP8SENP7SENP6
SCHEMBL1678651 0.78 NOS3 (0.55) HSD17B10CASP3SENP8SENP7SENP6
SCHEMBL1678623 0.76 NOS3 (0.66) NPC1RAB9AKDM4ENOS3NOS1
SCHEMBL6967589 0.76 NOS3 (0.59) NPC1RAB9AHTTSMN1; SMN2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4664673-B2 2011-04-06 JP claimed
EP-1539724-B1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2007-10-10 EP claimed
US-7141595-B2 Amino benzothiazole compounds with NOS inhibitory activity NEURAXON INC. (CA) 2006-11-28 US claimed
JP-2006501210-A 2006-01-12 JP claimed
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 claimed
EP-1539724-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2005-06-15 EP claimed
WO-2004014885-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2004-02-19 WO claimed
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 HSD17B10 3182/4885CASP3 587/4885SENP8 4210/4885

“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.