SCHEMBL2482041

SCHEMBL2482041

Brc1ccc(-c2cccc(-c3ccccc3)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
KMO O15229 2/20 0.42
KDR P35968 2/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL13917369 0.92 HSD17B1 (0.48) HSD17B1HSD17B2NPC1RAB9ANFKB1
SCHEMBL12523554 0.86 MAPK1 (0.56) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL1182292 0.86 LDHA (0.52) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL1925054 0.85 IDO1 (0.53) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL29412558 0.84 HSD17B1 (0.56) HSD17B1HSD17B2NPC1RAB9ANFKB1
SCHEMBL30940583 0.84 NPC1 (0.46) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL1926737 0.83 IDO1 (0.51) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL27614819 0.83 IDO1 (0.51) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL12957239 0.82 HSD17B1 (0.67) HSD17B1HSD17B2NPC1RAB9ANFKB1
SCHEMBL15747736 0.81 NPC1 (0.53) HSD17B1HSD17B2NPC1RAB9ANFKB1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
EP-3855519-A2 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS Universal Display Corporation (US) 2021-07-28 EP disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3428986-B1 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS UNIVERSAL DISPLAY CORP (US) 2021-01-20 EP disclosed
WO-2019158453-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-08-22 WO disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
EP-3428986-A1 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS Universal Display Corporation (US) 2019-01-16 EP disclosed
EP-1763902-B1 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS UNIVERSAL DISPLAY CORP (US) 2018-08-29 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
US-8603645-B2 Stable and efficient electroluminescent materials UNIVERSAL DISPLAY CORPORATION (US) 2013-12-10 US disclosed
EP-2378582-A1 Stable and efficient electroluminescent materials Universal Display Corporation (US) 2011-10-19 EP disclosed
US-20110060143-A1 Stable and Efficient Electroluminescent Materials KWONG RAYMOND 2011-03-10 US disclosed
US-7851072-B2 Stable and efficient electroluminescent materials UNIVERSAL DISPLAY CORPORATION (US) 2010-12-14 US disclosed
CN-101076902-B Stable and effective electroluminescent material UNIVERSAL DISPLAY CORP 2010-07-28 CN disclosed
CN-101076902-A Stable and effective electroluminescent material UNIVERSAL DISPLAY CORP (US) 2007-11-21 CN disclosed
EP-1763902-A2 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS Universal Display Corporation (US) 2007-03-21 EP disclosed
US-20070003789-A1 Stable and efficient electroluminescent materials UNIVERSAL DISPLAY CORPORAITON 2007-01-04 US disclosed
WO-2006014599-A2 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2006-02-09 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 (3 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC HSD17B1 4860/4885HSD17B2 4834/4885NPC1 4039/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 HSD17B1 4527/4885HSD17B2 4245/4885NPC1 2761/4885
US-20110060143-A1 Stable and Efficient Electroluminescent Materials EML4, ITGA5, CHRM5 HSD17B1 4254/4885HSD17B2 3936/4885NPC1 4706/4885

“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.