SCHEMBL5430331

SCHEMBL5430331

COc1cc(C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 1/20 0.41
AHR P35869 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
GAA P10253 1/20 0.40
NR3C2 P08235 1/20 0.40
HPGD P15428 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
SCHEMBL8137824 0.88 SMN1; SMN2 (0.52) ALOX5SMN1; SMN2HTTMAPTMEN1
SCHEMBL31270988 0.88 ALOX5 (0.53) ALOX5SMN1; SMN2HTTMAPTMEN1
SCHEMBL5221848 0.85 HTT (0.61) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL419102 0.84 ALOX5 (0.55) ALOX5SMN1; SMN2HTTMAPTMEN1
SCHEMBL9049724 0.82 SMN1; SMN2 (0.48) ALOX5SMN1; SMN2HTTMAPTMEN1
SCHEMBL15171158 0.82 ALOX5 (0.49) ALOX5SMN1; SMN2HTTMAPTMEN1
SCHEMBL5272199 0.82 SMN1; SMN2 (0.48) ALOX5SMN1; SMN2HTTMAPTMEN1
SCHEMBL26641147 0.82 SMN1; SMN2 (0.45) ALOX5SMN1; SMN2HTTMAPTMEN1
SCHEMBL29147704 0.81 NPC1 (0.47) ALOX5SMN1; SMN2HTTMAPTMEN1
SCHEMBL29842262 0.81 NPC1 (0.47) ALOX5SMN1; SMN2HTTMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
EP-1690863-A1 NOVEL CONDENSED IMIDAZOLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-08-16 EP 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 ALOX5 4844/4885SMN1; SMN2 3321/4885HTT 4674/4885

“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.