SCHEMBL5508010

SCHEMBL5508010

CCc1nc2c(N)ccc(N)c2s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.51
TLR7 Q9NYK1 9/20 0.51
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
COMT P21964 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL5508129 0.77 TLR8 (0.40) TLR8TLR7GAAMAPK1ALDH1A1
SCHEMBL5504239 0.74 POLB (0.45) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL5501897 0.74 TLR8 (0.47) TLR8TLR7NPC1RAB9AMAPK1
SCHEMBL11865568 0.73 NPC1 (0.43) TLR8TLR7NPC1RAB9AGAA
SCHEMBL5506839 0.73 HSD17B10 (0.39) TLR8NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL5510456 0.73 TP53 (0.36) TLR8GAAMAPK1ALDH1A1MAPT
SCHEMBL5505676 0.73 SMN1; SMN2 (0.52) GAAMAPK1SMN1; SMN2ALDH1A1PKM
SCHEMBL17856550 0.71 TLR8 (0.45) TLR8TLR7NPC1RAB9AGAA
SCHEMBL5500718 0.69 CYP3A4 (0.35) ALDH1A1MAPT
SCHEMBL5504755 0.69 HTT (0.35) GAA

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-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP claimed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO claimed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US claimed
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP disclosed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO disclosed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 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-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, DSP, KRTCAP2 TLR8 3044/4885TLR7 2980/4885NPC1 4798/4885

“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.