SCHEMBL1897569

SCHEMBL1897569

Nc1nc(C(F)(F)F)c(N)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SCN4A P35499 2/20 0.37
EPHX2 P34913 1/20 0.37
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
MPL P40238 4/20 0.33
NOS1 P29475 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
KCNH2 Q12809 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL20907837 0.78 MPL (0.42) ALDH1A1SCN4AEPHX2HSD17B10HPGD
SCHEMBL18116895 0.76 COMT (0.43) ALDH1A1HSD17B10HPGDNOS1PRMT6
SCHEMBL6681331 0.76 ALDH1A1 (0.37) ALDH1A1SCN4AEPHX2HSD17B10HPGD
SCHEMBL4589608 0.76 ALDH1A1 (0.37) ALDH1A1SCN4AEPHX2HSD17B10HPGD
SCHEMBL2307680 0.76 ALDH1A1 (0.37) ALDH1A1SCN4AEPHX2HSD17B10HPGD
SCHEMBL965933 0.76 NOS1 (0.50) ALDH1A1SCN4AEPHX2HSD17B10HPGD
SCHEMBL330115 0.76 HSD17B10 (0.37) ALDH1A1SCN4AEPHX2HSD17B10HPGD
Bromide SCHEMBL2497703 0.75 HSD17B10 (0.36) ALDH1A1SCN4AEPHX2HSD17B10HPGD
SCHEMBL12086420 0.73 HPGD (0.37) ALDH1A1SCN4AEPHX2HSD17B10HPGD
SCHEMBL25478667 0.72 HPGD (0.34) ALDH1A1SCN4AEPHX2HSD17B10HPGD

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 13 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
CN-101184726-B 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG 2012-05-30 CN disclosed
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US disclosed
EP-1856031-B1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-25 EP disclosed
US-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them DOMPE' PHA.R.MA.S.P.A. (IT) 2008-12-18 US disclosed
CN-101184726-A 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-05-21 CN disclosed
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP disclosed
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
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO 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 (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-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them C3AR1, C5AR2, C5AR1 ALDH1A1 1262/4885SCN4A 3467/4885EPHX2 747/4885
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 ALDH1A1 782/4885SCN4A 2228/4885EPHX2 1586/4885

“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.