SCHEMBL1748266

SCHEMBL1748266

O=[N+]([O-])c1ccc(F)cc1NCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTR6 P50406 4/20 0.50
TDP1 Q9NUW8 2/20 0.47
EGFR P00533 2/20 0.47
IGF1R P08069 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRKCQ Q04759 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
APP P05067 2/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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 0.88 MAPT (0.51) MAPTL3MBTL1HTR6TDP1CYP1A2
SCHEMBL5273620 0.88 MAPT (0.51) MAPTL3MBTL1HTR6TDP1CYP1A2
SCHEMBL3513090 0.85 HTR6 (0.66) MAPTL3MBTL1HTR6TDP1CYP1A2
SCHEMBL1748023 0.85 HTR6 (0.50) MAPTL3MBTL1HTR6TDP1EGFR
SCHEMBL10353602 0.84 MAPT (0.72) MAPTL3MBTL1HTR6TDP1EGFR
SCHEMBL6474912 0.80 MAPT (0.69) MAPTL3MBTL1HTR6TDP1CYP1A2
SCHEMBL16036056 0.80 HTR6 (0.50) MAPTL3MBTL1HTR6TDP1EGFR
SCHEMBL9700265 0.80 MAPT (0.56) MAPTL3MBTL1HTR6TDP1CYP1A2
SCHEMBL10353608 0.79 MAPT (0.59) MAPTL3MBTL1HTR6CYP1A2CYP3A4
SCHEMBL7373815 0.78 CDK5 (0.53) MAPTL3MBTL1TDP1EGFRIGF1R

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 MAPT 4350/4885L3MBTL1 1673/4885HTR6 1/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B MAPT 4350/4885L3MBTL1 1673/4885HTR6 1/4885

“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.