SCHEMBL1748387

SCHEMBL1748387

O=[N+]([O-])c1ccccc1-c1ccc(F)cc1NCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 3/20 0.47
EPAS1 Q99814 2/20 0.44
ARNT P27540 1/20 0.43
ACLY P53396 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.39
ALDH3A1 P30838 1/20 0.39
HTR6 P50406 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5021178 0.84 MAPT (0.51) MAPTL3MBTL1MAPK1ALDH1A1EPAS1
SCHEMBL5272822 0.80 MAPT (0.53) MAPTL3MBTL1ALDH1A1EPAS1ARNT
SCHEMBL10353552 0.80 MAPT (0.76) MAPTL3MBTL1MAPK1ALDH1A1EPAS1
SCHEMBL1748266 0.76 MAPT (0.51) MAPTL3MBTL1MAPK1ALDH1A1TDP1
SCHEMBL3513090 0.73 HTR6 (0.66) MAPTL3MBTL1MAPK1ALDH1A1TDP1
SCHEMBL10353596 0.72 MAPT (0.62) MAPTL3MBTL1MAPK1ALDH1A1EPAS1
SCHEMBL9683008 0.71 MAPT (0.67) MAPTL3MBTL1MAPK1ALDH1A1TDP1
SCHEMBL29623002 0.71 TDP1 (0.59) MAPTMAPK1ALDH1A1TDP1MEN1
SCHEMBL31325569 0.70 MAPT (0.73) MAPTL3MBTL1MAPK1ALDH1A1TDP1
SCHEMBL9138464 0.70 MAPT (0.73) MAPTL3MBTL1MAPK1ALDH1A1TDP1

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-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B MAPT 4350/4885L3MBTL1 1673/4885MAPK1 3265/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B MAPT 4350/4885L3MBTL1 1673/4885MAPK1 3265/4885

“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.