SCHEMBL1241897

SCHEMBL1241897

Clc1cccc(Cl)c1CNc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PLA2G1B P04054 1/20 0.45
HTT P42858 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
EGFR P00533 2/20 0.42
THRB P10828 1/20 0.42
GRK2 P25098 1/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ADRA2B P18089 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL11510231 0.81 GAA (0.53) KDM4EALDH1A1MAPTGAAL3MBTL1
SCHEMBL1239791 0.81 MAPT (0.56) KDM4EALDH1A1MAPTGAAL3MBTL1
SCHEMBL4943568 0.78 MAPT (0.56) KDM4EALDH1A1MAPTGAAL3MBTL1
SCHEMBL6696450 0.76 RXFP1 (0.60) KDM4EALDH1A1MAPTGAAL3MBTL1
SCHEMBL4927105 0.76 MAPT (0.45) MAPTL3MBTL1PLA2G1BATG4BEGFR
SCHEMBL29651753 0.76 GAA (0.48) KDM4EALDH1A1GAAEGFRDRD4
SCHEMBL1965560 0.76 FFAR1 (0.51) KDM4EALDH1A1HTTEGFRMEN1
SCHEMBL5268852 0.74 HDAC4 (0.44) KDM4EALDH1A1MAPTGAAEGFR
SCHEMBL23609815 0.73 EGFR (0.58) KDM4EALDH1A1MAPTGAAHTT
SCHEMBL29974494 0.73 EGFR (0.58) KDM4EALDH1A1MAPTGAAHTT

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-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 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 (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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 KDM4E 3977/4885ALDH1A1 397/4885MAPT 4236/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 KDM4E 3977/4885ALDH1A1 397/4885MAPT 4236/4885

“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.