SCHEMBL5504749

SCHEMBL5504749

CCN(CC)c1ccc(N)c2nc(C)sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
S100B P04271 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
HTT P42858 2/20 0.31
L3MBTL1 Q9Y468 2/20 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
SCHEMBL5502703 0.86 ALDH1A1 (0.40) HSD17B10MAPK1MAPTALDH1A1GAA
SCHEMBL5505358 0.85 MAPK1 (0.38) KDM4EHSD17B10MAPK1ALDH1A1TLR8
SCHEMBL5501692 0.82 TLR8 (0.41) KDM4EHSD17B10MAPK1MAPTALDH1A1
SCHEMBL5501490 0.80 ALDH1A1 (0.38) KDM4EHSD17B10MAPK1MAPTALDH1A1
SCHEMBL5501897 0.77 TLR8 (0.47) KDM4EHSD17B10MAPK1MAPTALDH1A1
SCHEMBL5504859 0.73 ALDH1A1 (0.40) HSD17B10MAPK1MAPTALDH1A1GAA
SCHEMBL5510456 0.72 TP53 (0.36) KDM4EMAPK1MAPTALDH1A1GAA
SCHEMBL5510300 0.72 KDM4E (0.40) KDM4EHSD17B10MAPK1MAPTALDH1A1
SCHEMBL5500618 0.69 SMN1; SMN2 (0.38) SMN1; SMN2ADORA2AADORA2BADORA1HTT
SCHEMBL5500552 0.68 KDM4E (0.34) KDM4EHSD17B10MAPK1ADORA2AADORA2B

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 KDM4E 279/4885HSD17B10 1119/4885MAPK1 1249/4885

“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.