SCHEMBL6067765

SCHEMBL6067765

CN1CCCC1CCNc1nc2cc(NC(=N)c3cccs3)ccc2s1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 10/20 0.69
NOS1 P29475 10/20 0.69
NOS2 P35228 6/20 0.69
TERT O14746 1/20 0.44
LCK P06239 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
UHRF1 Q96T88 1/20 0.39

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
SCHEMBL1677883 0.93 NOS3 (0.62) NOS3NOS1NOS2TERTLCK
SCHEMBL6067767 0.82 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL6067727 0.79 RAB9A (0.43) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL1678651 0.77 NOS3 (0.55) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL6067862 0.77 NOS3 (0.62) NOS3NOS1NOS2TERTLCK
SCHEMBL1677886 0.77 NOS3 (0.88) NOS3NOS1NOS2
SCHEMBL1913776 0.76 NOS3 (0.58) NOS3NOS1NOS2LCKMEN1
SCHEMBL12253656 0.75 NOS3 (0.66) NOS3NOS1NOS2
SCHEMBL12253657 0.75 NOS3 (0.66) NOS3NOS1NOS2
SCHEMBL1121966 0.75 NOS3 (0.66) NOS3NOS1NOS2

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 4 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 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
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.