SCHEMBL4424850

SCHEMBL4424850

Nc1cc2ccc3cc(N4CCCC4)[nH]c3c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ALDH1A1 P00352 6/20 0.35
HTT P42858 3/20 0.35
S100B P04271 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KEAP1 Q14145 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TERT O14746 1/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL4424687 0.77 EHMT2 (0.41) LMNAALDH1A1HTTS100BGAA
SCHEMBL4417853 0.77 AOC3 (0.48) ALDH1A1AOC3
SCHEMBL4430558 0.76 ALDH1A1 (0.34) LMNAALDH1A1HTTS100BGAA
SCHEMBL5036775 0.71 LMNA (0.40) LMNAALDH1A1HTTS100BGAA
SCHEMBL4416709 0.69 MAP2K7 (0.37) LMNAALDH1A1HTTPKMMEN1
SCHEMBL5174042 0.67 ALDH1A1 (0.39) LMNAALDH1A1HTTS100BGAA
SCHEMBL4417359 0.66 AOC3 (0.39) AOC3
SCHEMBL8087823 0.66 HRH3 (0.50) ALDH1A1L3MBTL1HRH4SMN1; SMN2KDM4E
SCHEMBL4424876 0.64 PIM3 (0.41) KEAP1AOC3
SCHEMBL29684111 0.64 HRH3 (0.49) LMNAL3MBTL1KEAP1HRH4SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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 (2 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 LMNA 394/4885ALDH1A1 657/4885HTT 2703/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 LMNA 394/4885ALDH1A1 657/4885HTT 2703/4885

“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.