SCHEMBL73675

SCHEMBL73675

O=C(CBr)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.66
CES1 P23141 1/20 0.66
GSK3B P49841 1/20 0.64
TP53 P04637 1/20 0.64
ALDH1A1 P00352 5/20 0.62
TSHR P16473 3/20 0.62
KMO O15229 1/20 0.60
GAA P10253 1/20 0.59
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MITF O75030 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL29703169 1.00 CES2 (0.66) CES2CES1GSK3BTP53ALDH1A1
SCHEMBL1986403 0.86 CES2 (0.70) CES2CES1TP53ALDH1A1TSHR
SCHEMBL30512072 0.84 CES2 (0.68) CES2CES1TP53ALDH1A1TSHR
SCHEMBL17347345 0.84 GSK3B (0.52) CES2CES1GSK3BTP53ALDH1A1
SCHEMBL312393 0.84 CES2 (0.68) CES2CES1TP53ALDH1A1TSHR
SCHEMBL16236714 0.84 CES2 (0.48) CES2CES1GSK3BTP53ALDH1A1
SCHEMBL29803072 0.84 KCNH2 (0.62) CES2CES1TP53ALDH1A1TSHR
SCHEMBL21643228 0.84 KCNH2 (0.62) CES2CES1TP53ALDH1A1TSHR
SCHEMBL10792180 0.83 TSHR (0.67) CES2CES1TP53ALDH1A1TSHR
SCHEMBL602616 0.83 CES2 (0.66) CES2CES1TP53ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880786-A Synthesis method and antioxidant application of camphene aldehyde thiazole hydrazone derivative 江西农业大学 2022-01-04 CN claimed
CN-108676016-B Synthetic method of myrtenal aldehyde imidazo [2,1-b ] [1,3,4] thiadiazole compound 广西大学 2021-02-26 CN claimed
CN-109456280-B 4-phenylthiazole-2-amine derivative containing urea structure and preparation method and application thereof 锦州医科大学 2020-11-10 CN claimed
CN-108840827-A The method of the quinoxaline that one-step synthesis method dinitro replaces or derivatives thereof 同济大学 2018-11-20 CN claimed
US-9870909-B2 Compositions and methods for mass spectometry MSTM, LLC 2018-01-16 US claimed
US-20140235863-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-21 US claimed
WO-2012164572-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-06 WO claimed
CN-1765503-A Quarternary ammonium salt of quinine compound, its preparation method and use NANJING UNIVERSITY OF TECHNOLOGY (CN) 2006-05-03 CN claimed
CN-117285470-B Electropolymerizable ionic liquid, polymer, battery pole piece and preparation method thereof TIANMU LAKE INSTITUTE OF ADVANCED ENERGY STORAGE TECHNOLOGIES Co.,Ltd. (CN) 2026-05-26 CN disclosed
EP-4334298-B1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS INC (US) 2026-02-18 EP disclosed
US-20250367188-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2025-12-04 US disclosed
US-20250340560-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BEIGENE SWITZERLAND GMBH (CH) 2025-11-06 US disclosed
EP-3609888-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF LILLY CO ELI (US) 2025-08-27 EP disclosed
US-12384813-B2 Polymer linked multimers of guanosine-3′, 5′-cyclic monophosphates MIRECA MEDICINES GMBH (DE) 2025-08-12 US disclosed
US-4265807-A TO INCREASE ITS OXIDATION RESISTANCE HERCULES INCORPORATED (US) 1981-05-05 US disclosed
EP-0019796-A1 Propionic acid esters, preparation of these compounds, herbicides containing these compounds as active substances, and the use of such compounds and agents for combating weeds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-12-10 EP disclosed
US-4212865-A BACTERICIDES RIKER LABORATORIES, INC. (US) 1980-07-15 US disclosed
EP-0005783-A1 Imidazo (2.1-b)-(1.3.4)-thiadiazoles, process for their preparation and their use in medicaments BAYER AG (DE) 1979-12-12 EP disclosed
EP-0003640-A2 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 EP disclosed
US-4143148-A ANTI-ULCER THIAZOLINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1979-03-06 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-12384813-B2 Polymer linked multimers of guanosine-3′, 5′-cyclic monophosphates PRKG1, PRKG2, PRKAG3 CES2 3824/4885CES1 4131/4885GSK3B 165/4885
US-20140235863-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF TST, NQO1, FNTB CES2 781/4885CES1 832/4885GSK3B 3349/4885
US-20250367188-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP3 CES2 1489/4885CES1 951/4885GSK3B 2016/4885
US-20250340560-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BTK, LCK, SYK CES2 3959/4885CES1 2036/4885GSK3B 198/4885

“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.