SCHEMBL402230

SCHEMBL402230

NOC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
CES1 P23141 2/20 0.61
KMT2A Q03164 3/20 0.60
PKM P14618 1/20 0.60
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
MAPT P10636 1/20 0.54
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
HGFAC Q04756 1/20 0.53
GSK3B P49841 1/20 0.52

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
Sulfuric Acid SCHEMBL30951754 0.93 POLB (0.58) TSHRCES1KMT2APKMCA1
SCHEMBL4111621 0.90 POLB (0.63) TSHRCES1KMT2APKMCA1
Tert-Butanol SCHEMBL9101844 0.90 TSHR (0.51) TSHRCES1KMT2APKMCA1
Trifluoromethanesulfonic Acid SCHEMBL29284789 0.86 POLB (0.51) TSHRCES1KMT2APKMCA1
SCHEMBL7297660 0.85 TSHR (0.55) TSHRCES1KMT2APKMCA1
SCHEMBL254773 0.83 CES1 (0.65) TSHRCES1KMT2APKMCA1
SCHEMBL1436249 0.83 CES1 (0.65) TSHRCES1KMT2APKMCA1
Methylamine SCHEMBL29169653 0.82 TSHR (0.60) TSHRCES1KMT2APKMCA1
SCHEMBL248294 0.82 TSHR (0.64) TSHRCES1KMT2APKMCA1
SCHEMBL11527677 0.81 TSHR (0.63) TSHRCES1KMT2APKMCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630421-A1 SYNTHESIS OF SULFOXIMINE COMPOUNDS HAVING A STEREOGENIC SULFUR ATOM Syngenta Crop Protection AG (CH) 2025-10-15 EP claimed
CN-119350315-A 2- (1H-indole-2-yl) -1,3, 4-oxadiazole derivatives, and preparation method and application thereof 南开大学 2025-01-24 CN claimed
WO-2024121335-A1 SYNTHESIS OF SULFOXIMINE COMPOUNDS HAVING A STEREOGENIC SULFUR ATOM SYNGENTA CROP PROTECTION AG (CH) 2024-06-13 WO claimed
CN-122070135-A Pharmaceutical compositions and methods of use thereof 托特斯医药公司 2026-05-19 CN disclosed
US-20260132136-A1 Pyrazolo[5,1-f][1,2,4]triazin-4-ones as inhibitors of NOX4 BOEHRINGER INGELHEIM INT GMBH (DE) 2026-05-14 US disclosed
US-12612407-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist BEONE MEDICINES I GMBH (CH) 2026-04-28 US disclosed
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
EP-4724425-A1 SYNTHESIS OF ENANTIOENRICHED 2-CYANO PYRIDYL SULFOXIDES Syngenta Crop Protection AG (CH) 2026-04-15 EP disclosed
US-12595265-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2026-04-07 US disclosed
US-12590096-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine as TLR8 agonists BeOne Medicines | GmbH (CH) 2026-03-31 US disclosed
WO-2026046899-A1 PYRAZOLO[5,1-f][1,2,4]TRIAZIN-4-ONES AS INHIBITORS OF NOX4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2026-03-05 WO disclosed
US-20070185106-A1 Pyrrole derivatives as gonadotropin releasing hormone (gnrh) antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070167428-A1 Thienopyrroles as antagonists of gnrh ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167428-A1 Thienopyrroles as antagonists of gnrh ASTRAZENECA AB (SE) 2007-07-19 US disclosed
CN-1809570-A [1,2,4] triazolo [1, 5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK (JP) 2006-07-26 CN disclosed
EP-0044696-B1 5-OXO-2,5,-DIHYDRO-1,2,4-TRIAZINES, METHODS FOR THEIR PRODUCTION, HERBICIDAL COMPOSITIONS COMPRISING THEM, AND THEIR USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-17 EP disclosed
US-4451283-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-29 US disclosed
EP-0044696-A2 5-Oxo-2,5,-dihydro-1,2,4-triazines, methods for their production, herbicidal compositions comprising them, and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-27 EP disclosed
US-4273721-A Tertiary amine polyalkylene glycol esters, their addition salts and their quaternary ammonium compounds BRISTOL-MYERS COMPANY (US) 1981-06-16 US disclosed
US-4237305-A INTERMEDIATES FOR PREPARING NEW ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-02 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 (7 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-20070185106-A1 Pyrrole derivatives as gonadotropin releasing hormone (gnrh) antagonists GNRHR, PRLHR, GHRHR TSHR 26/4885CES1 3711/4885KMT2A 1732/4885
US-12612407-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist TLR7, TLR8, TLR1 TSHR 68/4885CES1 979/4885KMT2A 1437/4885
US-20260132136-A1 Pyrazolo[5,1-f][1,2,4]triazin-4-ones as inhibitors of NOX4 NOX4, NOX1, NOX3 TSHR 1221/4885CES1 415/4885KMT2A 2820/4885
US-20070167428-A1 Thienopyrroles as antagonists of gnrh GNRHR, PRLHR, TRHR TSHR 9/4885CES1 3689/4885KMT2A 1902/4885
US-12595265-B2 Inhibitors of activin receptor-like kinase ACVR1, ACVRL1, ACVR2A TSHR 126/4885CES1 623/4885KMT2A 3475/4885
US-12590096-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine as TLR8 agonists TLR8, TLR7, TLR1 TSHR 143/4885CES1 1739/4885KMT2A 929/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 TSHR 2213/4885CES1 626/4885KMT2A 2982/4885

“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.