SCHEMBL5215844

SCHEMBL5215844

O=[N+]([O-])c1ccc2nc(NCCc3cccc(Cl)c3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.61
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
NPY1R P25929 2/20 0.57
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CXCR2 P25025 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
ACP1 P24666 1/20 0.51
RAB9A P51151 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 3/20 0.50
MMP13 P45452 1/20 0.50
FSCN1 Q16658 1/20 0.50
DYRK1A Q13627 1/20 0.50
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL5001727 0.88 RIPK1 (0.67) RIPK1BCHEACHENPY1RKMT2A
SCHEMBL5212909 0.83 ALDH1A1 (0.54) BCHEACHENPY1RKMT2AMEN1
SCHEMBL14395001 0.81 BCHE (0.67) RIPK1BCHEACHENPY1RKMT2A
SCHEMBL5215317 0.81 BCHE (0.67) RIPK1BCHEACHENPY1RKMT2A
SCHEMBL5001543 0.78 RIPK1 (0.63) RIPK1BCHEACHENPY1RKMT2A
SCHEMBL5310554 0.78 RIPK1 (0.73) RIPK1BCHEACHENPY1RKMT2A
SCHEMBL11204735 0.78 RIPK1 (0.93) RIPK1BCHEACHENPY1RKMT2A
SCHEMBL31730084 0.78 RIPK1 (0.76) RIPK1BCHEACHENPY1RKMT2A
SCHEMBL5212426 0.78 RIPK1 (0.76) RIPK1BCHEACHENPY1RKMT2A
SCHEMBL5213462 0.77 RIPK1 (0.62) RIPK1BCHEACHENPY1RKMT2A

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 RIPK1 3620/4885BCHE 1140/4885ACHE 273/4885

“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.