SCHEMBL5505358

SCHEMBL5505358

Cc1nc2c(N)ccc(N(CCO)CCO)c2s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
RAB9A P51151 4/20 0.31
NPC1 O15118 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SLC29A1 Q99808 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5500618 0.85 SMN1; SMN2 (0.38) ADORA2AADORA2BADORA1SMN1; SMN2HTT
SCHEMBL5504749 0.85 KDM4E (0.43) MAPK1KDM4EHSD17B10TLR8TLR7
SCHEMBL5500552 0.80 KDM4E (0.34) MAPK1KDM4EHSD17B10ADORA2AADORA2B
SCHEMBL5501692 0.80 TLR8 (0.41) MAPK1KDM4EHSD17B10TLR8TLR7
SCHEMBL5501897 0.75 TLR8 (0.47) MAPK1KDM4EHSD17B10TLR8TLR7
SCHEMBL5502479 0.74 SLC29A1 (0.30) SLC29A1
SCHEMBL5509108 0.73 SMN1; SMN2 (0.38) SMN1; SMN2HTT
SCHEMBL5502703 0.71 ALDH1A1 (0.40) MAPK1HSD17B10RAB9ANPC1ALDH1A1
SCHEMBL5500674 0.69 KDM4E (0.34) MAPK1KDM4EHSD17B10SLC29A1
SCHEMBL5510300 0.67 KDM4E (0.40) MAPK1KDM4EHSD17B10TLR8TLR7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107044-A Keratin dyeing compositions comprising benzothiazole-4-, 7-diamines and their use PROCTER & GAMBLE (US) 2008-01-16 CN claimed
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
CN-101107044-A Keratin dyeing compositions comprising benzothiazole-4-, 7-diamines and their use PROCTER & GAMBLE (US) 2008-01-16 CN disclosed
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 MAPK1 1249/4885KDM4E 279/4885HSD17B10 1119/4885

“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.