SCHEMBL5156540

SCHEMBL5156540

Nc1ccc(NCCO)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ILK Q13418 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
MITF O75030 1/20 0.32
TTR P02766 1/20 0.32
GLA P06280 1/20 0.32
RAD52 P43351 1/20 0.32
RAB9A P51151 1/20 0.32
RECQL P46063 1/20 0.31
MCL1 Q07820 1/20 0.31
PAK4 O96013 1/20 0.31
MELK Q14680 1/20 0.31
MAPT P10636 1/20 0.30
IKBKB O14920 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
SCHEMBL5154291 0.88 NUDT1 (0.41) KDM4EILKLMNAALDH1A1POLB
SCHEMBL5489924 0.79 CCNA2 (0.35) KDM4ELMNAALDH1A1GAAMAPT
SCHEMBL5036817 0.71 CYP2D6 (0.34) MAPK1CYP2D6CYP2C19ILKGAA
SCHEMBL4423067 0.70 CYP2D6 (0.34) KDM4EMAPK1CYP2D6CYP2C19ILK
SCHEMBL4430602 0.70 LMNA (0.31) CYP2D6CYP2C19ILKLMNAMAPT
SCHEMBL5492793 0.68 NOS1 (0.38) KDM4EMAPK1CYP2D6CYP2C19LMNA
SCHEMBL5154303 0.68 IDO1 (0.43) MAPTADORA1
SCHEMBL4426346 0.67 CYP2D6 (0.35) MAPK1CYP2D6CYP2C19ILKGAA
SCHEMBL5157838 0.67 IKBKB (0.39) KDM4EMAPK1CYP2D6CYP2C19ALDH1A1
SCHEMBL5150717 0.64 KDM4E (0.35) KDM4EMAPK1CYP2D6CYP2C19ALDH1A1

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
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 KDM4E 756/4885MAPK1 2646/4885CYP2D6 1035/4885

“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.