SCHEMBL12166109

SCHEMBL12166109

COC(=O)c1ncccc1-n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.50
TSPO P30536 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 2/20 0.39
PLAU P00749 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MYC P01106 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL12166075 0.89 L3MBTL1 (0.49) ELANEL3MBTL1F2PLAUKDM4E
SCHEMBL11926707 0.82 MYC (0.52) ELANETSPOL3MBTL1MYCTSHR
SCHEMBL12166117 0.82 GAA (0.49) ELANETSPOL3MBTL1KDM4EMYC
SCHEMBL12166069 0.80 MYC (0.45) ELANEL3MBTL1KDM4EMYCTSHR
SCHEMBL1896211 0.79 HSD17B10 (0.45) ELANETSPOL3MBTL1KDM4EMYC
SCHEMBL12166108 0.79 HSD17B10 (0.45) ELANETSPOL3MBTL1KDM4EMYC
SCHEMBL31179907 0.78 MYC (0.56) ELANEL3MBTL1KDM4EMYCTSHR
SCHEMBL13895889 0.76 TSPO (0.45) ELANETSPOL3MBTL1TSHRHTT
SCHEMBL12166067 0.76 MYC (0.45) ELANEL3MBTL1KDM4EMYCTSHR
SCHEMBL12282047 0.75 NR4A2 (0.48) ELANEKDM4EMYCTSHRALDH1A1

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-9012599-B2 Nitrogen-containing condensed heterocyclic compounds for OLEDs MERCK PATENT GMBH (DE) 2015-04-21 US disclosed
US-9012599-B2 Nitrogen-containing condensed heterocyclic compounds for OLEDs MERCK PATENT GMBH (DE) 2015-04-21 US disclosed
US-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-09-13 US disclosed
US-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-09-13 US disclosed
WO-2011060867-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH (DE) 2011-05-26 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-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS OCIAD2, OCIAD1, ODC1 ELANE 1096/4885TSPO 2385/4885L3MBTL1 4248/4885

“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.