SCHEMBL5213890

SCHEMBL5213890

O=[N+]([O-])c1ccc2nc(NCCN3CCCC3)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.65
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
ALDH1A1 P00352 3/20 0.55
AHR P35869 1/20 0.55
ACP1 P24666 1/20 0.54
NPY1R P25929 2/20 0.53
DYRK1A Q13627 1/20 0.53
KMT2A Q03164 3/20 0.53
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.48
STAT1 P42224 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL5212987 0.90 ALDH1A1 (0.68) RIPK1NPC1RAB9AALDH1A1AHR
SCHEMBL5213188 0.82 NOS3 (0.48) RIPK1NPC1RAB9AKMT2AMAPT
SCHEMBL5310554 0.81 RIPK1 (0.73) RIPK1NPC1RAB9AALDH1A1ACP1
SCHEMBL5212896 0.80 RIPK1 (0.60) RIPK1NPC1RAB9AAPOBEC3AAPOBEC3G
SCHEMBL11204735 0.78 RIPK1 (0.93) RIPK1NPC1RAB9AALDH1A1ACP1
SCHEMBL5212426 0.78 RIPK1 (0.76) RIPK1NPC1RAB9AALDH1A1ACP1
SCHEMBL5005629 0.78 RIPK1 (0.72) RIPK1NPC1RAB9AALDH1A1ACP1
SCHEMBL5005571 0.78 RIPK1 (0.72) RIPK1NPC1RAB9AALDH1A1ACP1
SCHEMBL31730084 0.78 RIPK1 (0.76) RIPK1NPC1RAB9AALDH1A1ACP1
SCHEMBL5001727 0.77 RIPK1 (0.67) RIPK1NPC1RAB9AALDH1A1ACP1

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 RIPK1 3620/4885NPC1 689/4885RAB9A 4490/4885

“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.