SCHEMBL2659922

SCHEMBL2659922

Cn1cc(-c2cccc(Br)c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.44
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42

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
SCHEMBL13872400 0.87 HSD17B1 (0.44) KEAP1NFE2L2KDM4E
SCHEMBL23019011 0.87 HDAC3 (0.41) KEAP1NFE2L2RAB9ANPC1SMN1; SMN2
SCHEMBL12277854 0.81 TEK (0.53) KEAP1NFE2L2RAB9ANPC1SMN1; SMN2
SCHEMBL2742892 0.79 CHRNB2 (0.49) KMT2AMEN1MAPTKDM4EIDO1
SCHEMBL19535125 0.79 KDR (0.48) KEAP1NFE2L2RAB9ANPC1SMN1; SMN2
SCHEMBL29979963 0.79 TEK (0.48) RAB9ANPC1TP53TSHRKMT2A
SCHEMBL13886476 0.79 TEK (0.48) RAB9ANPC1TP53TSHRKMT2A
SCHEMBL5049519 0.78 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL19707871 0.78 HDAC3 (0.43) KEAP1NFE2L2RAB9ANPC1SMN1; SMN2
SCHEMBL19708394 0.78 BRD4 (0.44) RAB9ANPC1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-11672166-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-06 US disclosed
US-11672166-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-06 US disclosed
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 EP disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
EP-3783007-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2021-02-24 EP disclosed
US-10461266-B2 Luminescent compounds and methods of using same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2019-10-29 US disclosed
US-20170358761-A1 Luminescent Compounds and Methods of Using Same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2017-12-14 US disclosed
US-20170358761-A1 Luminescent Compounds and Methods of Using Same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2017-12-14 US disclosed
US-20170358761-A1 Luminescent Compounds and Methods of Using Same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2017-12-14 US disclosed
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 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 (5 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-11672166-B2 Organometallic compound and organic light-emitting device including the same LEF1, OXA1L, OCIAD1 KEAP1 757/4885NFE2L2 43/4885RAB9A 3347/4885
US-20170358761-A1 Luminescent Compounds and Methods of Using Same CRY2, CYBA, TYR KEAP1 1521/4885NFE2L2 145/4885RAB9A 508/4885
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 KEAP1 1280/4885NFE2L2 1141/4885RAB9A 3098/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 KEAP1 1186/4885NFE2L2 1063/4885RAB9A 3216/4885
US-10461266-B2 Luminescent compounds and methods of using same CRY2, CYBA, TYR KEAP1 1521/4885NFE2L2 145/4885RAB9A 508/4885

“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.