SCHEMBL513491

SCHEMBL513491

CC(OC(N)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NOS1 P29475 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.43
CES1 P23141 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLAU P00749 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
SCHEMBL28966332 0.91 HPGD (0.47) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL28966334 0.91 HPGD (0.47) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL12988373 0.88 KMT2A (0.44) TSHRKMT2AMAPTMEN1ALDH1A1
SCHEMBL11592383 0.86 NPC1 (0.50) TSHRKMT2AMAPTMEN1ALDH1A1
SCHEMBL11592388 0.85 MAPT (0.47) TSHRKMT2AMAPTMEN1ALDH1A1
SCHEMBL8760108 0.85 MAPT (0.51) TSHRKMT2AMAPTMEN1ALDH1A1
SCHEMBL27468094 0.85 MAPT (0.51) TSHRKMT2AMAPTMEN1ALDH1A1
SCHEMBL4876482 0.83 ALDH1A1 (0.49) TSHRKMT2AMAPTMEN1ALDH1A1
SCHEMBL4623730 0.83 SMN1; SMN2 (0.49) TSHRKMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL21066864 0.83 KMT2A (0.45) TSHRKMT2AMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4556480-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS Fileclo Spolka Z Ograniczona Odpowiedzialnoscia (PL) 2025-05-21 EP disclosed
US-20240294541-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS FILECLO SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2024-09-05 US disclosed
EP-4380939-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS Fileclo Spolka Z Ograniczona Odpowiedzialnoscia (PL) 2024-06-12 EP disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2023012323-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS FILECLO SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2023-02-09 WO disclosed
CN-115232030-A Aryl urea compound and preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2022-10-25 CN disclosed
CN-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed
CN-113115588-A Novel carbamate hydrolase for enzymatic decomposition of polyurethane 科思创知识产权两合公司 2021-07-13 CN disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-0184291-A2 Polyether antibiotic A80190 ELI LILLY AND COMPANY (US) 1986-06-11 EP disclosed
US-4582822-A ANIMAL FEED ADDITIVES ELI LILLY AND COMPANY (US) 1986-04-15 US disclosed
EP-0102680-B1 SUBSTITUTED N-(2,4-DINITRO-6-(TRIFLUOROMETHYL)PHENYL)-NAPHTHALENAMINE DERIVATIVES ELI LILLY AND COMPANY (US) 1986-03-05 EP disclosed
EP-0076059-B1 ANTICOCCIDIAL COMBINATIONS ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed
EP-0102680-A1 Substituted N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-naphthalenamine derivatives ELI LILLY AND COMPANY (US) 1984-03-14 EP disclosed
EP-0076059-A1 Anticoccidial combinations ELI LILLY AND COMPANY (US) 1983-04-06 EP disclosed
US-4366168-A POLYETHER ANTIBIOTIC AND 2, 4-DINITRO N- 4-(POLYFLUOROALKOXY)PHENYL -6-(TRIBLUOROMETHYL) BENZENAMINE ELI LILLY AND COMPANY (US) 1982-12-28 US disclosed
US-4294925-A FERMENTATION, AEROBIC PROCESSES HOFFMANN-LA ROCHE INC. (US) 1981-10-13 US disclosed
US-4263427-A REACTING HYDROXYL WITH ISOCYANATE TO OBTAIN ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1981-04-21 US disclosed
US-3962416-A Preserved nutrients and products KATZEN SOL 1976-06-08 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-20240294541-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS MRPS22, MRPS27, DHPS TSHR 4476/4885KMT2A 1660/4885MAPT 4251/4885

“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.