SCHEMBL5216610

SCHEMBL5216610

Nc1ccc2c(c1)SC(N)N2CCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
KDM1A O60341 8/20 0.39
KDM4E B2RXH2 2/20 0.36
CD274 Q9NZQ7 1/20 0.36
KEAP1 Q14145 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA2A P29274 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL30869827 0.75 KDM1A (0.64) MAPTSMN1; SMN2GAAKDM1AL3MBTL1
SCHEMBL31388396 0.75 SMN1; SMN2 (0.54) MAPTSMN1; SMN2
SCHEMBL5214087 0.74 NOX1 (0.37) MAPTSMN1; SMN2KDM1AKDM4EL3MBTL1
SCHEMBL5215376 0.73 DRD2 (0.43) MAPTSMN1; SMN2KDM4ESIGMAR1ALDH1A1
SCHEMBL31388397 0.71 EPHX2 (0.59) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5253886 0.71 GAA (0.38) MAPTSMN1; SMN2GAAKDM4EL3MBTL1
SCHEMBL5219441 0.71 HTR2A (0.37) L3MBTL1ALDH1A1
SCHEMBL31388393 0.71 EPHX2 (0.59) GAA
SCHEMBL5256493 0.70 EHMT2 (0.38) MAPTSMN1; SMN2L3MBTL1SIGMAR1ALDH1A1
SCHEMBL5185925 0.68 CYP2D6 (0.51) SIGMAR1

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 MAPT 1123/4885SMN1; SMN2 71/4885GAA 4104/4885

“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.