SCHEMBL6067843

SCHEMBL6067843

O=[N+]([O-])c1ccc2nc(NCCCn3ccnc3)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 5/20 0.69
RIPK1 Q13546 2/20 0.65
POLB P06746 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.49
NPY1R P25929 2/20 0.49
KMT2A Q03164 1/20 0.48
DYRK1A Q13627 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
ALOX15 P16050 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL5217150 0.84 QPCT (0.76) QPCTRIPK1ALDH1A1ALOX15
SCHEMBL78603 0.82 QPCT (1.00) QPCTALDH1A1NPC1RAB9AKMT2A
SCHEMBL77764 0.80 QPCT (1.00) QPCTMAOBALDH1A1NPC1RAB9A
SCHEMBL76506 0.79 QPCT (1.00) QPCTALDH1A1NPC1RAB9AALOX15
SCHEMBL31730084 0.78 RIPK1 (0.76) RIPK1POLBMAOAALDH1A1NPC1
SCHEMBL5212426 0.78 RIPK1 (0.76) RIPK1POLBMAOAALDH1A1NPC1
SCHEMBL11204735 0.78 RIPK1 (0.93) RIPK1POLBMAOAALDH1A1NPC1
SCHEMBL5189230 0.78 QPCT (0.69) QPCTPOLBMAOAMAOBALDH1A1
SCHEMBL5310554 0.77 RIPK1 (0.73) RIPK1POLBALDH1A1NPC1RAB9A
SCHEMBL1539978 0.76 RIPK1 (0.53) QPCTRIPK1POLBMAOAMAOB

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 5 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
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 294/4885RIPK1 3620/4885POLB 4486/4885

“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.