SCHEMBL5036880

SCHEMBL5036880

Nc1cc2[nH]c(N3CCCC3)cc2o1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DAO P14920 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
ALPL P05186 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
SCHEMBL4423271 0.79 ALDH1A1 (0.34) LMNAALDH1A1L3MBTL1SMN1; SMN2HRH4
SCHEMBL5036775 0.71 LMNA (0.40) LMNAALDH1A1PKMPOLBL3MBTL1
SCHEMBL5044526 0.70 NUDT1 (0.36) LMNAALDH1A1PKMSMN1; SMN2HRH4
SCHEMBL5041419 0.69 PRKDC (0.33) ALDH1A1POLBSMN1; SMN2HRH4ALPL
SCHEMBL5036563 0.69 AOC3 (0.37)
SCHEMBL5036373 0.67 POLB (0.35) LMNAALDH1A1PKMPOLBL3MBTL1
SCHEMBL5046405 0.67 BCHE (0.44) SMN1; SMN2HRH4
SCHEMBL4424687 0.67 EHMT2 (0.41) LMNAALDH1A1PKML3MBTL1DAO
SCHEMBL5040152 0.67 LMNA (0.37) LMNAALDH1A1PKMPOLBL3MBTL1
SCHEMBL5040254 0.66 PSMB8 (0.33)

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 6 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
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.