SCHEMBL429752

SCHEMBL429752

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.71
ALDH1A1 P00352 4/20 0.71
KMT2A Q03164 3/20 0.71
HIF1A Q16665 2/20 0.71
HPGD P15428 2/20 0.71
MAPK1 P28482 2/20 0.71
MEN1 O00255 2/20 0.71
TTR P02766 2/20 0.71
KDM4E B2RXH2 1/20 0.71
CYP1A2 P05177 1/20 0.71
MAPT P10636 1/20 0.71
CYP2C9 P11712 1/20 0.71
ALOX15 P16050 1/20 0.71
ALOX12 P18054 1/20 0.71
RECQL P46063 1/20 0.71
PMP22 Q01453 1/20 0.71
HSD17B10 Q99714 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL1137222 0.87 ALDH1A1 (0.57) GPR35ALDH1A1KMT2AHIF1AHPGD
Trinitrophenol SCHEMBL253750 0.85 GPR35 (0.79) GPR35ALDH1A1KMT2AHIF1AHPGD
Trinitrophenol SCHEMBL8744 0.85 GPR35 (0.79) GPR35ALDH1A1KMT2AHIF1AHPGD
3,5-Dinitrocatechol (Or-486) SCHEMBL1283419 0.83 GPR35 (1.00) GPR35ALDH1A1KMT2AHIF1AHPGD
Trinitrophenol SCHEMBL9140811 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AHIF1AHPGD
Trinitrophenol SCHEMBL2260890 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AHIF1AHPGD
Trinitrophenol SCHEMBL2218625 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AHIF1AHPGD
Trinitrophenol SCHEMBL5908864 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AHIF1AHPGD
Trinitrophenol SCHEMBL1692116 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AHIF1AHPGD
Trinitrophenol SCHEMBL1503376 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AHIF1AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 CN disclosed
US-20230079045-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-16 US disclosed
EP-3368036-B1 MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-07-20 EP disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 CN disclosed
CN-108430471-B Factor XIa inhibitors 默沙东公司 2021-07-09 CN disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 WO disclosed
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 US disclosed
US-20180339977-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-29 US disclosed
EP-3368036-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
CN-108430471-A Factor xia inhibitors 默沙东公司 2018-08-21 CN disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
WO-2008100463-A1 3,4-DIHYDR0-L,4-BENZ0XAZINE, 3, 4-DIHYDR0-1, 4-BENZOTHIAZINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
WO-2007024949-A2 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 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 (6 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-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A GPR35 116/4885ALDH1A1 915/4885KMT2A 1519/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A GPR35 116/4885ALDH1A1 915/4885KMT2A 1519/4885
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof MAN2A1, MAN1B1, ALG1 GPR35 1579/4885ALDH1A1 690/4885KMT2A 3690/4885
US-20230079045-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF IDE, ACE, SI GPR35 3826/4885ALDH1A1 1085/4885KMT2A 1168/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A GPR35 116/4885ALDH1A1 915/4885KMT2A 1519/4885
US-20180339977-A1 FACTOR XIA INHIBITORS F11, SERPINC1, TFPI GPR35 4024/4885ALDH1A1 3635/4885KMT2A 1209/4885

“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.