SCHEMBL16623906

SCHEMBL16623906

Cc1ccc(-c2sc(C)cc2N)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC3 O15379 2/20 0.35
NOS3 P29474 3/20 0.33
NOS2 P35228 3/20 0.33
MEN1 O00255 1/20 0.33
MPI P34949 1/20 0.33
KMT2A Q03164 1/20 0.33
PGR P06401 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
Hydrochloric Acid SCHEMBL16616922 0.98 ALDH1A1 (0.44) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL16272779 0.79 NOS3 (0.36) ALDH1A1HSD17B10MAPTNOS3NOS2
SCHEMBL14216931 0.78 NPC1 (0.39) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL23366488 0.78 ALDH1A1 (0.39) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL17428022 0.77 ALDH1A1 (0.38) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL16272780 0.75 NOS3 (0.30) NOS3NOS2
SCHEMBL16616805 0.75 NPC1 (0.37) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL13058796 0.74 ALDH1A1 (0.39) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL13362240 0.74 ALDH1A1 (0.48) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL13616793 0.73 ALDH1A1 (0.48) ALDH1A1NPC1HSD17B10MAPTGFER

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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
CN-107266481-A Organic electric-field light-emitting element material, organic electric-field light-emitting element, display device and lighting device 捷恩智株式会社 2017-10-20 CN disclosed
EP-2897184-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC Corporation (JP) 2015-07-22 EP disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 ALDH1A1 2463/4885NPC1 3459/4885HSD17B10 4406/4885

“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.