SCHEMBL4519799

SCHEMBL4519799

O=[N+]([O-])c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 6/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
GRM5 P41594 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.45
GSK3B P49841 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
STK17A Q9UEE5 1/20 0.44
ALOX12 P18054 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
SCHEMBL16009506 0.86 AHR (0.52) AHRTDP1MAPTPOLBMAPK1
SCHEMBL11333871 0.80 BCL6 (0.63) TDP1MAPTPOLBMAPK1MEN1
SCHEMBL28390980 0.78 HDAC3 (0.53) AHRMAPTPOLBMAPK1MEN1
SCHEMBL8989503 0.78 AHR (0.51) AHRTDP1MAPTMAPK1MEN1
SCHEMBL15873609 0.77 GRM5 (0.54) POLBMEN1KMT2AGRM5L3MBTL1
SCHEMBL23580255 0.76 ALDH1A1 (0.47) AHRTDP1MAPTMAPK1MEN1
SCHEMBL3597604 0.76 AHR (0.47) AHRTDP1MAPTPOLBMAPK1
SCHEMBL5800553 0.76 MEN1 (0.73) AHRMAPTMEN1KMT2AL3MBTL1
SCHEMBL4509394 0.74 GRM5 (0.51) AHRGRM5STK17ABCL6
SCHEMBL10703012 0.73 ALOX12 (0.68) MAPTMEN1KMT2APIK3CAPIK3CB

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-20090286827-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2009-11-19 US disclosed
CN-101460478-A Novel bi-aryl amines NOVARTIS AG (CH) 2009-06-17 CN disclosed
EP-2004624-A1 NOVEL BI-ARYL AMINES Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113276-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2007-10-11 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 (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-20090286827-A1 NOVEL BI-ARYL AMINES NAT1, MAOB, CYP2B6 AHR 23/4885TDP1 1696/4885MAPT 1161/4885

“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.