SCHEMBL1896211

SCHEMBL1896211

COC(=O)c1cnccc1-n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
ELANE P08246 3/20 0.44
TSPO P30536 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NR4A2 P43354 4/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MYC P01106 1/20 0.38

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
SCHEMBL12166108 0.91 HSD17B10 (0.45) HSD17B10ELANETSPOL3MBTL1NR4A2
SCHEMBL1893720 0.89 NR4A2 (0.48) NR4A2ALDH1A1MAPK8MAPK9MAPK10
SCHEMBL12166067 0.88 MYC (0.45) HSD17B10ELANEL3MBTL1NR4A2ALDH1A1
SCHEMBL12166116 0.87 HSD17B10 (0.44) HSD17B10ELANEL3MBTL1NR4A2TSHR
SCHEMBL12166061 0.87 MYC (0.46) HSD17B10ELANEL3MBTL1NR4A2ALDH1A1
SCHEMBL11926707 0.86 MYC (0.52) ELANETSPOL3MBTL1NR4A2ALDH1A1
SCHEMBL12166007 0.86 NR4A2 (0.45) NR4A2ALDH1A1MAPK8MAPK9MAPK10
SCHEMBL12166029 0.83 NR4A2 (0.45) NR4A2ALDH1A1MAPK8MAPK9MAPK10
SCHEMBL31179907 0.82 MYC (0.56) ELANEL3MBTL1NR4A2ALDH1A1TSHR
SCHEMBL12282047 0.82 NR4A2 (0.48) ELANENR4A2ALDH1A1TSHRKDM4E

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
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-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
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
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 HSD17B10 1075/4885ELANE 1096/4885TSPO 2385/4885

“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.