SCHEMBL5041558

SCHEMBL5041558

Cn1c(N)cc2[nH]c(N3CCCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 5/20 0.36
EPHX2 P34913 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
PKM P14618 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DAO P14920 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
NR4A1 P22736 1/20 0.30
PTK2B Q14289 1/20 0.30
BRD4 O60885 1/20 0.30
BRPF1 P55201 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
SCHEMBL5039758 0.72 LMNA (0.36) LMNAPOLB
SCHEMBL5036775 0.69 LMNA (0.40) LMNAALDH1A1HRH4PKMPOLB
SCHEMBL4420744 0.66 MAP2K7 (0.40) LMNAALDH1A1EPHX2HRH4POLB
SCHEMBL5040152 0.66 LMNA (0.37) LMNAALDH1A1HRH4PKMPOLB
SCHEMBL4424687 0.66 EHMT2 (0.41) LMNAALDH1A1HRH4PKML3MBTL1
SCHEMBL5174022 0.65 HRH4 (0.33) HRH4
SCHEMBL4416709 0.64 MAP2K7 (0.37) LMNAALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL5036880 0.64 LMNA (0.36) LMNAALDH1A1HRH4PKMPOLB
SCHEMBL14422064 0.64 LMNA (0.53) LMNAALDH1A1PKMPOLBL3MBTL1
SCHEMBL5039790 0.63 HRH4 (0.33) ALDH1A1HRH4PKMPOLBSMN1; SMN2

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 LMNA 351/4885ALDH1A1 492/4885EPHX2 1158/4885

“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.