SCHEMBL21395912

SCHEMBL21395912

N#Cc1ccccc1-c1ccc2c3cc(-c4cnc5c(ccc6cccnc65)c4)ccc3n(-c3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
NR3C1 P04150 1/20 0.41
ABL1 P00519 1/20 0.36
METAP2 P50579 1/20 0.36
CYP1A2 P05177 6/20 0.35
CYP3A4 P08684 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 5/20 0.35
CLK4 Q9HAZ1 3/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34
PDE4D Q08499 1/20 0.34
ADORA2A P29274 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL21395917 0.89 PARP1 (0.42) METAP2MAPK1GABRA1GABRG2GABRB3
SCHEMBL21395910 0.87 PDE4D (0.40) CLK4PDE4DADORA2AGABRA1GABRG2
SCHEMBL21395838 0.84 NR3C1 (0.39) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL17124098 0.78 ALDH1A1 (0.41) CYP3A4ALDH1A1CYP2C19PDE4DFEN1
SCHEMBL21396064 0.78 NR3C1 (0.43) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL22737090 0.78 NR3C1 (0.41) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL22736995 0.78 NR3C1 (0.41) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL15248366 0.78 KDM4E (0.44) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL21395913 0.77 FABP1 (0.38) METAP2ALDH1A1CYP2C19MAPK1PDE4D
SCHEMBL15305750 0.76 KDM4E (0.40) METAP2ALDH1A1CYP2C19HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 US 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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 TRPA1 27/4885NR3C1 1255/4885ABL1 3021/4885

“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.