SCHEMBL4049852

SCHEMBL4049852

O=[N+]([O-])c1cc[c]c2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
ALDH1A1 P00352 11/20 0.50
MAPT P10636 11/20 0.50
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
LMNA P02545 4/20 0.50
KDM4E B2RXH2 7/20 0.46
TDP1 Q9NUW8 7/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HSP90AA1 P07900 3/20 0.46
HTT P42858 3/20 0.46
CTSB P07858 2/20 0.46
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
OPRK1 P41145 2/20 0.46
CASP6 P55212 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 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
SCHEMBL6449910 0.87 PDE10A (0.56) PDE10AALDH1A1MAPTMEN1KMT2A
SCHEMBL2123769 0.73 POLB (0.54) PDE10AALDH1A1MAPTMEN1KMT2A
SCHEMBL11838471 0.73 TDP1 (0.48) PDE10AALDH1A1MEN1KMT2ATDP1
SCHEMBL949962 0.72 PDE10A (1.00) PDE10AALDH1A1MAPTMEN1KMT2A
SCHEMBL249714 0.72 TDP1 (0.52) ALDH1A1MEN1KMT2ATDP1CTSB
Hydrochloric Acid SCHEMBL7965424 0.70 PDE10A (0.96) PDE10AALDH1A1MAPTMEN1KMT2A
SCHEMBL11973580 0.70 MEN1 (0.77) PDE10AALDH1A1MAPTMEN1KMT2A
SCHEMBL144184 0.69 METAP2 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL20264913 0.69 KDM4E (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6163578 0.69 LMNA (0.41) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP claimed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP claimed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US claimed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 WO claimed
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP disclosed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US disclosed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT PDE10A 2096/4885ALDH1A1 720/4885MAPT 2111/4885

“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.