SCHEMBL1748251

SCHEMBL1748251

O=C(c1ccc(F)cc1NCc1cc(Cl)cc(Cl)c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.50
CISD1 Q9NZ45 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MARS1 P56192 1/20 0.38
MDM2 Q00987 1/20 0.38
CDC7 O00311 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALOX15 P16050 3/20 0.36
SSTR3 P32745 1/20 0.36
P2RX7 Q99572 2/20 0.36
IDO1 P14902 1/20 0.36
ARNT P27540 1/20 0.35
EPAS1 Q99814 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL5280628 0.87 CNR1 (0.39) ACLYRPS6KB1MARS1MDM2IDO1
SCHEMBL5276755 0.81 CDC7 (0.45) AURKARPS6KB1CDC7ROCK2MAP4K4
SCHEMBL1748141 0.81 AURKA (0.44) AURKARPS6KB1MAPTTDP1
SCHEMBL1748204 0.77 HTR6 (0.50) ACLYP2RX7MAPT
Hydrochloric Acid SCHEMBL1748368 0.77 HTR6 (0.49) ACLYP2RX7MAPT
SCHEMBL5280148 0.77 ACLY (0.43) ACLYALOX15MAPT
SCHEMBL1748139 0.74 GRN (0.36) ACLYMDM2ALOX15
SCHEMBL5275083 0.74 HDAC3 (0.48) MAPT
SCHEMBL5021178 0.70 MAPT (0.51) ARNTEPAS1MAPTTDP1
SCHEMBL1748293 0.70 ADRA1A (0.54) ACLYCISD1

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 10 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 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
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 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 ACLY 4680/4885CISD1 2235/4885AURKA 4266/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ACLY 4680/4885CISD1 2235/4885AURKA 4266/4885

“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.