SCHEMBL1424323

SCHEMBL1424323

O=[N+]([O-])c1cc[n+]([O-])c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
PTPRC P08575 2/20 0.38
S100A4 P26447 1/20 0.38
ACHE P22303 1/20 0.38
ALOX15 P16050 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
GPR35 Q9HC97 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL2227750 0.79 TSHR (0.48) TSHRLMNAALDH1A1TDP1CYP3A4
SCHEMBL30945319 0.76 TSHR (0.48) TSHRLMNAALDH1A1TDP1CYP3A4
SCHEMBL10688254 0.76 ALDH1A1 (0.46) TSHRLMNAALDH1A1TDP1CYP3A4
SCHEMBL5313485 0.76 ALDH1A1 (0.47) TSHRLMNAALDH1A1TDP1CYP3A4
SCHEMBL31536932 0.76 HSD17B10 (0.48) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL345760 0.76 HSD17B10 (0.48) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL351824 0.76 TSHR (0.48) TSHRLMNAALDH1A1TDP1CYP3A4
SCHEMBL12275570 0.76 TSHR (0.45) TSHRLMNAALDH1A1TDP1CYP3A4
SCHEMBL18000477 0.76 TSHR (0.47) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL11733678 0.74 HSP90AA1 (0.44) TSHRLMNAALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000692-A1 Substituted N-(Pyridin-2-yl)Acetamide Derivatives as CDK12/13 Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2026-01-01 US disclosed
US-12319654-B2 Inert nanocapsules THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2025-06-03 US disclosed
CN-119562812-A Substituted N- (pyridin-2-yl) acetamide derivatives as CDK12/13 inhibitors 奥里吉恩肿瘤学有限公司 2025-03-04 CN disclosed
WO-2024009232-A1 SUBSTITUTED N-(PYRIDIN-2-YL)ACETAMIDE DERIVATIVES AS CDK12/13 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-01-11 WO disclosed
CN-115160220-A Synthesis process of pyridine-N-oxide 上海泰坦科技股份有限公司 2022-10-11 CN disclosed
US-20220177431-A1 INERT NANOCAPSULES THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2022-06-09 US disclosed
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
EP-3823678-A1 INERT NANOCAPSULES The University Court Of The University of Edinburgh (GB) 2021-05-26 EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
WO-2020016561-A1 INERT NANOCAPSULES THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-01-23 WO disclosed
US-4738969-A Substituted aminopyridones and aminoquinolones having histamine H2 -receptor blocking activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-04-19 US disclosed
EP-0243450-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES. FMC CORP (US) 1987-11-04 EP disclosed
US-4681883-A Histamine H2 -antagonist oxazole and thiazole derivatives and compositions therefor SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-07-21 US disclosed
CN-86107258-A Pyridyl carbamide compound and on agricultural, using 1987-05-27 CN disclosed
WO-1987002665-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC CORPORATION (US) 1987-05-07 WO disclosed
US-4608380-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-08-26 US disclosed
CN-85108132-A Compounds process for production thereof 1986-07-16 CN disclosed
EP-0181163-A2 Heterocyclic phenoxy derivatives having an antihistamine H2 activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP disclosed
EP-0143630-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-05 EP disclosed
US-4216327-A 2-(2-Acetylhydrazino)-4-nitropyridine 1-oxide MORTON-NORWICH PRODUCTS, INC. (US) 1980-08-05 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 (4 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-12319654-B2 Inert nanocapsules CHRM2, CHRM5, NCL TSHR 2935/4885LMNA 690/4885ALDH1A1 4254/4885
US-20260000692-A1 Substituted N-(Pyridin-2-yl)Acetamide Derivatives as CDK12/13 Inhibitors CDK1, CDK12, CDK11A TSHR 1244/4885LMNA 589/4885ALDH1A1 4612/4885
US-20220177431-A1 INERT NANOCAPSULES CHRM2, CHRM5, CLN6 TSHR 2904/4885LMNA 629/4885ALDH1A1 4216/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A TSHR 2874/4885LMNA 3129/4885ALDH1A1 1140/4885

“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.