SCHEMBL5212909

SCHEMBL5212909

Nc1ccc2nc(NCCc3cccc(Cl)c3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CSNK1D P48730 6/20 0.49
NPY1R P25929 3/20 0.48
HSD17B10 Q99714 2/20 0.48
NOS1 P29475 3/20 0.46
NOS3 P29474 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL5305295 0.86 NPC1 (0.70) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL5215844 0.83 RIPK1 (0.61) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL5219432 0.79 NPC1 (0.52) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL1677803 0.77 NOS3 (0.69) NOS1NOS3
SCHEMBL5256491 0.76 ROCK2 (0.64) ALDH1A1MAPTCYP2D6CYP2C9CYP2C19
SCHEMBL21588479 0.75 SMN1; SMN2 (0.50) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL18384865 0.75 RIPK1 (0.55) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1677802 0.75 HSD17B10 (0.50) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL5215893 0.75 NOS3 (0.60) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL5216052 0.75 RIPK1 (0.49) ALDH1A1LMNAMAPTNPC1RAB9A

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 4 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

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 1460/4885LMNA 3259/4885MAPT 1123/4885

“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.