SCHEMBL5433490

SCHEMBL5433490

Cc1c(N=O)c(=O)n(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
HTT P42858 2/20 0.51
GAA P10253 10/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
MPI P34949 2/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 2/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 2/20 0.47
BCHE P06276 1/20 0.46
PTGS2 P35354 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL3856402 0.86 GAA (0.64) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL3695114 0.73 BCHE (0.73) ALDH1A1KDM4EMAPTTHRBKMT2A
SCHEMBL14400607 0.70 GAA (0.62) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL3118630 0.70 GAA (0.62) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL5144278 0.69 GAA (0.82) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL10560873 0.69 GAA (0.55) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL14373827 0.68 L3MBTL1 (0.64) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL23403026 0.68 BCHE (0.65) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL5423880 0.68 ALDH1A1 (0.51) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL23401247 0.68 BCHE (0.65) ALDH1A1GAAKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
EP-1628963-A1 NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES Aston University (GB) 2006-03-01 EP disclosed
WO-2004106306-A1 NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES ASTON UNIVERSITY (GB) 2004-12-09 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-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives CCKAR, CCKBR, GRPR ALDH1A1 2093/4885HTT 3594/4885GAA 4658/4885

“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.