SCHEMBL5417854

SCHEMBL5417854

Nc1ccc(NCCC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
MAPT P10636 6/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PTGS1 P23219 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL5415235 0.88 APP (0.43) APPMAPTMAOAMAOBPTGS1
SCHEMBL5413434 0.86 PRSS1 (0.43) APPMAPTMAOAMAOBPTGS1
SCHEMBL5413502 0.84 PRSS1 (0.44) APPMAPTMAOAMAOBPTGS1
SCHEMBL180817 0.81 APP (0.55) APPMAPTMAOAMAOBALDH1A1
SCHEMBL21800004 0.81 APP (0.44) APPMAPTMAOAMAOBALDH1A1
SCHEMBL5400019 0.80 APP (0.43) APPBACE1MAPTMAOAMAOB
Hydrochloric Acid SCHEMBL4952599 0.79 APP (0.53) APPMAPTMAOAMAOBALDH1A1
SCHEMBL3953252 0.77 ALDH1A1 (0.58) MAPTMAOAMAOBPTGS1ALDH1A1
SCHEMBL2024986 0.77 MAPT (0.56) APPMAPTMAOAMAOBALDH1A1
SCHEMBL34107 0.77 PRSS1 (0.54) APPMAPTMAOAMAOBALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7311737-B2 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith L'OREAL (FR) 2007-12-25 US claimed
US-20060021157-A1 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-02 US claimed
EP-1568682-A1 Secondary N-fluoroalkyl-para-phenylenediamines, dye compositions containing them, processes and uses L'OREAL (FR) 2005-08-31 EP claimed
CN-105209443-A Indoleamine 2, 3-dioxygenase (IDO) inhibitors BRISTOL MYERS SQUIBB CO 2015-12-30 CN disclosed
CN-102573994-A Novel bicyclic urea compounds MERCK PATENT GMBH 2012-07-11 CN disclosed
US-7311737-B2 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith L'OREAL (FR) 2007-12-25 US disclosed
US-20060021157-A1 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-02 US disclosed
EP-1568682-A1 Secondary N-fluoroalkyl-para-phenylenediamines, dye compositions containing them, processes and uses L'OREAL (FR) 2005-08-31 EP disclosed
EP-1568682-A1 Secondary N-fluoroalkyl-para-phenylenediamines, dye compositions containing them, processes and uses L'OREAL (FR) 2005-08-31 EP 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-20060021157-A1 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith KRT18, CDC73, FLNA APP 353/4885BACE1 2647/4885BACE2 3447/4885

“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.