SCHEMBL5044229

SCHEMBL5044229

Cn1c(N)cc2sc(N3CCCC3)cc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
S100B P04271 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 1/20 0.30
NR4A1 P22736 1/20 0.30
PTK2B Q14289 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
SCHEMBL5044363 0.69 ALDH1A1 (0.35) HRH4MEN1ALDH1A1KMT2AGAA
SCHEMBL4426166 0.66 HRH4 (0.32) HRH4ALDH1A1
SCHEMBL4420579 0.64 ALDH1A1 (0.35) MEN1ALDH1A1KMT2AGAAMAPT
SCHEMBL5036412 0.64 GAA (0.32) HRH4MEN1ALDH1A1KMT2AGAA
SCHEMBL5040204 0.64 GAA (0.32) MEN1ALDH1A1KMT2AGAAMAPT
SCHEMBL5041558 0.63 LMNA (0.45) HRH4MEN1ALDH1A1KMT2AGAA
SCHEMBL5039679 0.62 ALDH1A1 (0.38) HRH4ALDH1A1GAAMAPTALOX15
SCHEMBL12279012 0.62 ALDH1A1 (0.36) MEN1ALDH1A1KMT2AGAAMAPT
SCHEMBL5044668 0.61 ATAD2 (0.46) ALDH1A1MAPTLMNAS100BHTT
SCHEMBL5174022 0.61 HRH4 (0.33) HRH4S100B

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B HRH4 2339/4885MEN1 4806/4885ALDH1A1 492/4885

“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.