SCHEMBL12166108

SCHEMBL12166108

COC(=O)c1ccncc1-n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
ELANE P08246 3/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TSPO P30536 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NR4A2 P43354 4/20 0.40
LMNA P02545 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 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
SCHEMBL1896211 0.91 HSD17B10 (0.45) HSD17B10ELANEALDH1A1KDM4EGLA
SCHEMBL12166073 0.89 ALDH1A1 (0.50) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL12166067 0.88 MYC (0.45) HSD17B10ELANEALDH1A1KDM4EL3MBTL1
SCHEMBL12166061 0.87 MYC (0.46) HSD17B10ELANEALDH1A1KDM4EGLA
SCHEMBL11926707 0.86 MYC (0.52) ELANEALDH1A1GAATSPOL3MBTL1
SCHEMBL31179907 0.82 MYC (0.56) ELANEALDH1A1KDM4EGAAL3MBTL1
SCHEMBL12282047 0.80 NR4A2 (0.48) ELANEALDH1A1KDM4EGAANR4A2
SCHEMBL1893720 0.80 NR4A2 (0.48) ALDH1A1KDM4EGLAGAANR4A2
SCHEMBL12166116 0.79 HSD17B10 (0.44) HSD17B10ELANEKDM4EGAAL3MBTL1
SCHEMBL12100556 0.79 MYC (0.52) HSD17B10ALDH1A1KDM4EGLAGAA

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 HSD17B10 1075/4885ELANE 1096/4885ALDH1A1 1351/4885

“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.