SCHEMBL6067862

SCHEMBL6067862

CN1CCCC1CCNc1nc2cc(N)ccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.62
NOS1 P29475 1/20 0.62
NOS2 P35228 1/20 0.62
CLK1 P49759 1/20 0.44
ACP1 P24666 2/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
UHRF1 Q96T88 1/20 0.42
LCK P06239 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TERT O14746 1/20 0.40
CAMK2D Q13557 1/20 0.40
RAD52 P43351 2/20 0.39
ACKR3 P25106 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL5215368 0.91 NOS3 (0.55) NOS3NOS1NOS2ACP1HRH2
SCHEMBL1913776 0.84 NOS3 (0.58) NOS3NOS1NOS2ACP1HRH2
SCHEMBL6067773 0.83 RIPK1 (0.60) NOS3NOS1NOS2ACP1UHRF1
SCHEMBL6067767 0.77 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL6067765 0.77 NOS3 (0.69) NOS3NOS1NOS2UHRF1LCK
SCHEMBL5212896 0.76 RIPK1 (0.60) NOS3NOS1NOS2ACP1LCK
SCHEMBL14062185 0.73 RAD52 (0.53) ACP1HRH2HRH1HRH3UHRF1
SCHEMBL1677886 0.72 NOS3 (0.88) NOS3NOS1NOS2
SCHEMBL6067758 0.71 CLK1 (0.53) CLK1HRH3MEN1KMT2ARAD52
SCHEMBL1677883 0.71 NOS3 (0.62) NOS3NOS1NOS2UHRF1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.