SCHEMBL8931017

SCHEMBL8931017

c1ccc(-n2c(-c3ccc4ccccc4c3)nc3cc4ccccc4cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
PTGER4 P35408 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL24477061 0.89 ESR1 (0.54) ESR1ESR2SIRT2SIRT1ALDH1A1
SCHEMBL8011262 0.88 ESR1 (0.57) MAPK10ESR1ESR2SIRT2SIRT1
SCHEMBL21674159 0.87 SIRT2 (0.46) MAPK10ESR1ESR2SIRT2SIRT1
SCHEMBL14506132 0.86 ESR1 (0.56) MAPK10ESR1ESR2SIRT2SIRT1
SCHEMBL14506131 0.86 ESR1 (0.56) MAPK10ESR1ESR2SIRT2SIRT1
SCHEMBL23945057 0.86 SIRT2 (0.45) MAPK10ESR1ESR2SIRT2SIRT1
SCHEMBL23945056 0.86 SIRT2 (0.45) MAPK10ESR1ESR2SIRT2SIRT1
SCHEMBL23945062 0.86 SIRT2 (0.45) MAPK10ESR1ESR2SIRT2SIRT1
SCHEMBL12278691 0.85 PTGER4 (0.40) MAPK10ESR1ESR2SIRT2SIRT1
SCHEMBL23945235 0.85 PTGS2 (0.51) ESR1ESR2SIRT2SIRT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187727-B2 Imidazole derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2012-05-29 US disclosed
US-8187727-B2 Imidazole derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2012-05-29 US disclosed
WO-2007011170-A9 NEW IMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2011-06-16 WO disclosed
EP-1907366-B1 NEW IMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2010-04-28 EP disclosed
US-20070018155-A1 New imidazole derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-01-25 US disclosed
US-20070018155-A1 New imidazole derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-01-25 US disclosed
WO-2007011170-A1 NEW IMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2007-01-25 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-20070018155-A1 New imidazole derivatives, preparation method thereof and organic electronic device using the same ICMT, TIMM9, TIMM44 MAPK10 2878/4885ESR1 302/4885ESR2 1586/4885

“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.