SCHEMBL54362

SCHEMBL54362

O=[C]Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
LMNA P02545 1/20 0.57
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
ALDH1A1 P00352 3/20 0.48
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.48
F2 P00734 1/20 0.48
HSP90AA1 P07900 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL12111966 0.84 TSHR (0.55) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL3185672 0.80 CYP19A1 (0.50) TSHRLMNAALDH1A1TDP1ALOX15
SCHEMBL4203388 0.80 TSHR (0.67) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL6273333 0.79 TSHR (0.64) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL30043252 0.79 TSHR (0.64) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL5487184 0.78 TSHR (0.57) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL27231156 0.77 NFE2L2 (0.54) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL5251407 0.77 CHRNB2 (0.57) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL8151669 0.77 KMT2A (0.41) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL5609078 0.77 TSHR (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1

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 1796 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP claimed
EP-2098508-B1 Processes for preparing cyclic derivatives which are modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP claimed
CN-1433297-A Topical compositions comprising protected functional thiols PROCTER & GAMBLE (US) 2003-07-30 CN claimed
EP-1143916-A2 TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS THE PROCTER & GAMBLE COMPANY (US) 2001-10-17 EP claimed
WO-2000040210-A2 TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS THE PROCTER & GAMBLE COMPANY (US) 2000-07-13 WO claimed
US-5709848-A COMPOUNDS FOR COSMETICS FOR SKINS L'OREAL (FR) 1998-01-20 US claimed
EP-0700896-B1 Photochemically cleavable agents able to chelate metals and compositions containing them OREAL (FR) 1996-11-06 EP claimed
US-5530124-A Method for preparing cyclic ureas and their use for the synthesis of HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-25 US claimed
EP-0700896-A1 Photochemically cleavable metal chelating agents and compositions containing them L'OREAL (FR) 1996-03-13 EP claimed
US-4113495-A 2,4,4-TRIMETHYL-2-(2,5-DIHYDROXYPHENYL)-6-HYDROXY-CHROMANS FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 US claimed
US-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2024-06-27 US disclosed
CN-118202006-A Resin composition, cured product, optical member, ultraviolet absorber, compound, method for producing compound, and polymer 富士胶片株式会社 2024-06-14 CN disclosed
CN-118176445-A Light absorbing filter, light filter, method for manufacturing light absorbing filter, organic electroluminescent display device, inorganic electroluminescent display device, and liquid crystal display device 富士胶片株式会社 2024-06-11 CN disclosed
US-20240182517-A1 SILANE-CONTAINING CONDENSED CYCLIC DIPEPTIDE COMPOUND, PRODUCTION METHOD THEREFOR, AND METHOD FOR PRODUCING POLYPEPTIDE COMPOUND USING SAME CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2024-06-06 US disclosed
US-11993697-B2 Flexible tube for endoscope, endoscopic medical device, and resin composition for covering flexible tube substrate for endoscope FUJIFILM CORPORATION (JP) 2024-05-28 US disclosed
US-4358532-A Photographic element FUJI PHOTO FILM CO., LTD. (JP) 1982-11-09 US disclosed
US-4266020-A XANTHENES AS DISCOLORATION INHIBITORS FUJI PHOTO FILM CO., LTD. (JP) 1981-05-05 US disclosed
US-4264720-A CHROMENE COMPOUND COLOR STABILIZING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed
US-4113495-A 2,4,4-TRIMETHYL-2-(2,5-DIHYDROXYPHENYL)-6-HYDROXY-CHROMANS FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 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 (2 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-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME NAAA, FAAH, FAAH2 TSHR 1978/4885LMNA 4240/4885CHRNB2 4479/4885
US-20240182517-A1 SILANE-CONTAINING CONDENSED CYCLIC DIPEPTIDE COMPOUND, PRODUCTION METHOD THEREFOR, AND METHOD FOR PRODUCING POLYPEPTIDE COMPOUND USING SAME VIP, NGLY1, NPR1 TSHR 910/4885LMNA 4182/4885CHRNB2 3295/4885

“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.