SCHEMBL5039501

SCHEMBL5039501

Nc1nc2[nH]c(NCCO)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
CHUK O15111 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
PIK3CG P48736 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL5039413 0.81 MAPT (0.36) MAPTMAPK1LMNACYP1A2THRB
SCHEMBL5037006 0.75 CYP2D6 (0.36) CYP2D6CYP2C19POLBPKMMAPK1
SCHEMBL5046360 0.75 LMNA (0.37) MAPTMAPK1LMNACYP1A2THRB
SCHEMBL5039429 0.73 CYP2D6 (0.34) CYP2D6CYP2C19MAPTGPR84RECQL
SCHEMBL5039295 0.72 LMNA (0.38) MAPTMAPK1LMNACYP1A2THRB
SCHEMBL5036854 0.71 MAPT (0.43) CYP2D6CYP2C19MAPTPOLBPKM
SCHEMBL5041139 0.71
SCHEMBL5039510 0.71 LMNA (0.35) MAPTMAPK1LMNACYP1A2THRB
SCHEMBL5036333 0.70 CYP2D6 (0.37) CYP2D6CYP2C19MAPTPOLBMAPK1
SCHEMBL5041110 0.69 CYP2D6 (0.40) CYP2D6CYP2C19MAPTPOLBPKM

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 CYP2D6 1077/4885CYP2C19 1794/4885MAPT 439/4885

“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.