SCHEMBL5212917

SCHEMBL5212917

Nc1ccc2c(c1)SC(N)N2CCc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.43
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
DAO P14920 1/20 0.36
PNMT P11086 1/20 0.36
IDO1 P14902 2/20 0.35
BACE1 P56817 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 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
SCHEMBL5219441 0.79 HTR2A (0.37) TAAR1ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL5256493 0.78 EHMT2 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2AMAOB
SCHEMBL27924323 0.73 GSK3B (0.47) TAAR1GLASMN1; SMN2PNMTIDO1
SCHEMBL5216610 0.68 MAPT (0.41) SMN1; SMN2ALDH1A1
SCHEMBL27906314 0.68 KMT2A (0.35) TAAR1ALDH1A1MEN1KMT2A
SCHEMBL3365671 0.66 TAAR1 (0.68) TAAR1AOC3HTR3EHTR3BHTR3A
SCHEMBL5215376 0.65 DRD2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AFYN
SCHEMBL9799333 0.64 TAAR1 (0.60) TAAR1AOC3HTR3EHTR3BHTR3A
SCHEMBL148750 0.63 TAAR1 (1.00) TAAR1AOC3HTR3EHTR3BHTR3A
SCHEMBL30643998 0.63 TAAR1 (1.00) TAAR1AOC3HTR3EHTR3BHTR3A

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 3 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

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 TAAR1 2044/4885GLA 4208/4885SMN1; SMN2 71/4885

“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.