SCHEMBL5216192

SCHEMBL5216192

Nc1ccc2c(c1)SC(N)N2CCc1cnc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.40
HRH1 P35367 7/20 0.40
HRH4 Q9H3N8 6/20 0.40
HRH2 P25021 4/20 0.40
LMNA P02545 1/20 0.40
MIF P14174 1/20 0.40
TSHR P16473 1/20 0.40
APEX1 P27695 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL5305299 0.75 NOX1 (0.39) HRH3SMN1; SMN2CYP19A1
SCHEMBL5215900 0.72 HRH1 (0.41) HRH3HRH1
SCHEMBL5214087 0.70 NOX1 (0.37) HRH1HRH2LMNATSHRSMN1; SMN2
SCHEMBL5212917 0.70 TAAR1 (0.43) SMN1; SMN2CYP19A1
SCHEMBL5217163 0.69 PRKCI (0.40) CYP19A1
SCHEMBL5216610 0.68 MAPT (0.41) SMN1; SMN2
SCHEMBL5256493 0.66 EHMT2 (0.38) SMN1; SMN2
SCHEMBL5215376 0.64 DRD2 (0.43) HRH3HRH1HRH2LMNATSHR
SCHEMBL6931260 0.62 NOX1 (0.46) LMNACYP19A1
SCHEMBL27924324 0.61 ALDH1A1 (0.44)

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 HRH3 1971/4885HRH1 1838/4885HRH4 1428/4885

“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.