SCHEMBL5212987

SCHEMBL5212987

O=[N+]([O-])c1ccc2nc(NCCN3CCOCC3)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
AHR P35869 1/20 0.68
RIPK1 Q13546 2/20 0.61
MAPT P10636 3/20 0.57
LMNA P02545 3/20 0.56
PKM P14618 2/20 0.53
POLB P06746 1/20 0.53
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
IDO1 P14902 1/20 0.52
ACP1 P24666 1/20 0.51
NPY1R P25929 2/20 0.50
KMT2A Q03164 2/20 0.50
DYRK1A Q13627 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 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
SCHEMBL5213890 0.90 RIPK1 (0.65) ALDH1A1AHRRIPK1MAPTPKM
SCHEMBL5216603 0.83 NOS3 (0.60) ALDH1A1AHRMAPTPOLBNOS3
SCHEMBL22639912 0.81 HTT (0.64) ALDH1A1MAPTPOLBNOS3NOS1
SCHEMBL4748705 0.80 CASR (0.60) ALDH1A1MAPTPOLBNOS3NOS1
SCHEMBL5440486 0.79 ALDH1A1 (0.57) ALDH1A1AHRMAPTLMNAPKM
SCHEMBL22639860 0.78 KMT2A (0.66) ALDH1A1MAPTLMNAPOLBNOS3
SCHEMBL5310554 0.78 RIPK1 (0.73) ALDH1A1RIPK1MAPTLMNAPKM
SCHEMBL31349376 0.77 ALDH1A1 (0.73) ALDH1A1AHRMAPTLMNAPOLB
SCHEMBL3754832 0.77 ALDH1A1 (0.56) ALDH1A1AHRMAPTLMNAPKM
SCHEMBL22639710 0.76 IDO1 (0.56) ALDH1A1MAPTLMNANOS3NOS1

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 ALDH1A1 1460/4885AHR 4420/4885RIPK1 3620/4885

“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.