SCHEMBL16397274

SCHEMBL16397274

O=[N+]([O-])c1c(Cl)cccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 1/20 0.47
MPI P34949 1/20 0.47
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
PDE7A Q13946 4/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GPR35 Q9HC97 1/20 0.38
PDE7B Q9NP56 2/20 0.38
HPGD P15428 1/20 0.38
TLR8 Q9NR97 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL30542587 1.00 PMM2 (0.47) PMM2MPITSHRALDH1A1TDP1
SCHEMBL9452627 0.84 ALDH1A1 (0.52) PMM2MPITSHRALDH1A1TDP1
SCHEMBL670917 0.84 TSHR (0.58) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL11569768 0.79 TSHR (0.43) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL31448488 0.77 PMM2 (0.38) PMM2MPIALDH1A1PDE7AGRIN2D
SCHEMBL29763129 0.77 TSHR (0.59) TSHRALDH1A1TDP1GPR35HPGD
SCHEMBL1056952 0.77 TDP1 (0.45) PMM2MPITSHRALDH1A1TDP1
SCHEMBL41402 0.77 TSHR (0.59) TSHRALDH1A1TDP1GPR35HPGD
SCHEMBL11328561 0.77 TSHR (0.45) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL1249766 0.77 TSHR (0.59) PMM2MPITSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12628548-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2026-05-12 US disclosed
US-12419191-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2025-09-16 US disclosed
CN-119119050-A Compound for organic optoelectronic device, and display device 三星SDI株式会社 2024-12-13 CN disclosed
US-20230140877-A1 Novel Compound and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2023-05-11 US disclosed
US-20230140749-A1 Novel Compound and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2023-05-04 US disclosed
CN-111233874-B Tri-indole compound and organic electronic element containing same 宇瑞(上海)化学有限公司 2023-02-17 CN disclosed
WO-2023282484-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER 엘티소재주식회사 2023-01-12 WO disclosed
US-20220020932-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2022-01-20 US disclosed
CN-109071411-B Method for producing nitrobenzene compound 组合化学工业株式会社 2021-08-27 CN disclosed
US-10899687-B2 Process for the preparation of organic halides TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2021-01-26 US disclosed
US-20180053904-A1 TETRADENTATE PLATINUM (II) AND PALLADIUM (II) COMPLEXES AND OCTAHEDRAL IRIDIUM COMPLEXES EMPLOYING AZEPINE FUNCTIONAL GROUPS AND THEIR ANALOGUES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-02-22 US disclosed
EP-3015451-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-01-17 EP disclosed
CN-105189447-B The method for manufacturing nitrobenzene compound 组合化学工业株式会社 2017-12-05 CN disclosed
WO-2017060906-A1 PROCESS FOR THE PREPARATION OF ORGANIC HALIDES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2017-04-13 WO disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
CN-103269592-B Cyclic amine substituted oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-11 CN disclosed
EP-3015451-A1 METHOD FOR MANUFACTURING NITROBENZENE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2016-05-04 EP disclosed
CN-105189447-A Method for manufacturing nitrobenzene compound IHARA CHEMICAL IND CO 2015-12-23 CN disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 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 (8 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-20230140749-A1 Novel Compound and Organic Light Emitting Device Comprising the Same ARL1, LAS1L, AR PMM2 4758/4885MPI 4761/4885TSHR 2514/4885
US-12419191-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof PIEZO1, OR51E2, OR10J3 PMM2 3110/4885MPI 3415/4885TSHR 4607/4885
US-12628548-B2 Organometallic compound and organic light-emitting device including the same TBL2, TBL3, CD274 PMM2 3801/4885MPI 1613/4885TSHR 9/4885
US-20220020932-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF PIEZO1, OR51E2, OR10J3 PMM2 3110/4885MPI 3415/4885TSHR 4607/4885
US-20180053904-A1 TETRADENTATE PLATINUM (II) AND PALLADIUM (II) COMPLEXES AND OCTAHEDRAL IRIDIUM COMPLEXES EMPLOYING AZEPINE FUNCTIONAL GROUPS AND THEIR ANALOGUES AZI2, TPO, LAGE3 PMM2 4587/4885MPI 574/4885TSHR 396/4885
US-10899687-B2 Process for the preparation of organic halides HDHD5, CBR3, RCC2 PMM2 4644/4885MPI 3588/4885TSHR 1084/4885
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB PMM2 1188/4885MPI 540/4885TSHR 4069/4885
US-20230140877-A1 Novel Compound and Organic Light Emitting Device Comprising the Same CRY2, CRY1, GLI1 PMM2 3850/4885MPI 2520/4885TSHR 4136/4885

“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.