SCHEMBL5021178

SCHEMBL5021178

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTR6 P50406 4/20 0.50
EPAS1 Q99814 2/20 0.48
ARNT P27540 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.45
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1748266 0.88 MAPT (0.51) MAPTL3MBTL1HTR6TDP1POLB
SCHEMBL1748387 0.84 MAPT (0.50) MAPTL3MBTL1HTR6EPAS1ARNT
SCHEMBL3513090 0.83 HTR6 (0.66) MAPTL3MBTL1HTR6TDP1POLB
SCHEMBL10353552 0.81 MAPT (0.76) MAPTL3MBTL1HTR6EPAS1TDP1
SCHEMBL13331973 0.81 HTR6 (0.56) MAPTL3MBTL1HTR6TDP1POLB
SCHEMBL31395716 0.81 HTR6 (0.53) MAPTL3MBTL1HTR6TDP1POLB
SCHEMBL1748023 0.80 HTR6 (0.50) MAPTL3MBTL1HTR6TDP1POLB
SCHEMBL5272822 0.80 MAPT (0.53) MAPTL3MBTL1EPAS1ARNTTDP1
SCHEMBL5273620 0.78 MAPT (0.51) MAPTL3MBTL1HTR6TDP1LMNA
SCHEMBL9683008 0.78 MAPT (0.67) MAPTL3MBTL1HTR6TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120115850-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.