SCHEMBL5217150

SCHEMBL5217150

Nc1ccc2nc(NCCCn3ccnc3)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.76
ILK Q13418 1/20 0.52
SOD1 P00441 2/20 0.46
ALOX15 P16050 1/20 0.46
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
TOP1 P11387 1/20 0.42
RIPK1 Q13546 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
SCHEMBL78603 0.86 QPCT (1.00) QPCTILKSOD1ALOX15ALDH1A1
SCHEMBL77764 0.84 QPCT (1.00) QPCTALDH1A1
SCHEMBL6067843 0.84 QPCT (0.69) QPCTALOX15ALDH1A1RIPK1
SCHEMBL76506 0.83 QPCT (1.00) QPCTILKSOD1ALOX15NAMPT
SCHEMBL1678932 0.77 NOS3 (0.63) QPCT
SCHEMBL1678929 0.76 QPCT (0.60) QPCTILKSOD1NAMPT
SCHEMBL24648932 0.76 QPCT (0.67) QPCTILKSOD1ALOX15NAMPT
SCHEMBL5216052 0.75 RIPK1 (0.49) QPCTILKALDH1A1RIPK1
SCHEMBL2539814 0.75 SOD1 (0.57) QPCTSOD1ALOX15
SCHEMBL24648675 0.75 QPCT (0.61) QPCTALOX15NAMPT

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 QPCT 294/4885ILK 2264/4885SOD1 1638/4885

“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.