SCHEMBL12166117

SCHEMBL12166117

COC(=O)c1cccnc1-n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ELANE P08246 1/20 0.45
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAP2K1 Q02750 1/20 0.41
TSPO P30536 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR4A2 P43354 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MYC P01106 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
SCHEMBL18280699 0.93 GAA (0.49) GAAELANEALDH1A1KDM4ETP53
SCHEMBL12166081 0.89 KDM4E (0.52) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL12166069 0.82 MYC (0.45) GAAELANEALDH1A1KDM4EMAPT
SCHEMBL11926707 0.82 MYC (0.52) GAAELANEALDH1A1MAPTTSPO
SCHEMBL12166109 0.82 ELANE (0.50) ELANEALDH1A1KDM4EMAPTTSPO
SCHEMBL18280711 0.82 ALDH1A1 (0.52) GAAELANEALDH1A1KDM4ETP53
SCHEMBL18280712 0.79 MYC (0.53) ALDH1A1KDM4ETP53MAPTRXFP1
SCHEMBL12166108 0.79 HSD17B10 (0.45) GAAELANEALDH1A1KDM4ETSPO
SCHEMBL1896211 0.79 HSD17B10 (0.45) GAAELANEALDH1A1KDM4ETSPO
SCHEMBL31179907 0.78 MYC (0.56) GAAELANEALDH1A1KDM4EMAPT

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 GAA 4431/4885ELANE 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.