SCHEMBL5212426

SCHEMBL5212426

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.76
ACP1 P24666 2/20 0.60
DYRK1A Q13627 1/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.57
MAOA P21397 1/20 0.55
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
STAT1 P42224 1/20 0.54
MCL1 Q07820 1/20 0.54
NPY1R P25929 1/20 0.52
ALDH1A1 P00352 3/20 0.52
CXCR2 P25025 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL11204735 0.88 RIPK1 (0.93) RIPK1ACP1DYRK1AKMT2AMAPT
SCHEMBL31730084 0.88 RIPK1 (0.76) RIPK1ACP1DYRK1AKMT2AMAPT
SCHEMBL11063315 0.86 RIPK1 (0.78) RIPK1ACP1DYRK1AKMT2AMAPT
SCHEMBL5310554 0.84 RIPK1 (0.73) RIPK1ACP1DYRK1AKMT2AMAPT
SCHEMBL11215787 0.81 RIPK1 (0.73) RIPK1ACP1DYRK1AKMT2AMAPT
SCHEMBL31068560 0.81 RIPK1 (0.66) RIPK1ACP1DYRK1AKMT2AMAPT
SCHEMBL5216052 0.81 RIPK1 (0.49) RIPK1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL5005571 0.81 RIPK1 (0.72) RIPK1ACP1DYRK1AKMT2AMAPT
SCHEMBL5005629 0.81 RIPK1 (0.72) RIPK1ACP1DYRK1AKMT2AMAPT
SCHEMBL5001727 0.80 RIPK1 (0.67) RIPK1ACP1DYRK1AKMT2AMAPT

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 3620/4885ACP1 3174/4885DYRK1A 3931/4885

“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.