SCHEMBL5036775

SCHEMBL5036775

Nc1cc2[nH]c(N3CCCC3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 7/20 0.37
PKM P14618 2/20 0.36
DAO P14920 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
AOC3 Q16853 2/20 0.32
POLB P06746 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
S100B P04271 2/20 0.32
ALOX15 P16050 2/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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 0.83 EHMT2 (0.41) LMNAALDH1A1PKMDAOHRH4
SCHEMBL4416709 0.82 MAP2K7 (0.37) LMNAALDH1A1PKMSMN1; SMN2AOC3
SCHEMBL5036924 0.72 AOC3 (0.50) LMNAALDH1A1SMN1; SMN2AOC3MEN1
SCHEMBL5040152 0.72 LMNA (0.37) LMNAALDH1A1PKMDAOHRH4
SCHEMBL4424850 0.71 LMNA (0.36) LMNAALDH1A1PKMHRH4SMN1; SMN2
SCHEMBL5036880 0.71 LMNA (0.36) LMNAALDH1A1PKMDAOHRH4
SCHEMBL5039683 0.71 PDE3B (0.38) LMNAALDH1A1HRH4SMN1; SMN2CRHBP
SCHEMBL5041558 0.69 LMNA (0.45) LMNAALDH1A1PKMDAOHRH4
SCHEMBL5174042 0.68 ALDH1A1 (0.39) LMNAALDH1A1PKMDAOHRH4
SCHEMBL5036412 0.67 GAA (0.32) LMNAALDH1A1PKMHRH4L3MBTL1

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 492/4885PKM 294/4885

“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.