SCHEMBL95865

SCHEMBL95865

O=COc1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
TDP1 Q9NUW8 2/20 0.62
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
RECQL P46063 1/20 0.60
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.45

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
Methoxyamine SCHEMBL29077150 0.91 ALDH1A1 (0.62) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL18365033 0.83 TDP1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL16589005 0.83 GPR35 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL1982756 0.83 HPGD (0.47) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL10212142 0.83 TDP1 (0.44) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL535558 0.82 ALDH1A1 (0.66) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL3391996 0.82 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL11209116 0.82 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL13665394 0.82 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL27760518 0.81 ALDH1A1 (0.64) ALDH1A1TDP1RAB9ANPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373962-A1 SUPRAMOLECULAR MOLECULES FOR THE TREATMENT OF CANCER THE UNIVERSITY OF BIRMINGHAM (GB) 2023-11-23 US claimed
CN-116854907-A Polypeptide and nano-assembly and preparation method thereof 中国科学技术大学 2023-10-10 CN claimed
WO-2022064066-A1 SUPRAMOLECULAR MOLECULES FOR THE TREATMENT OF CANCER THE UNIVERSITY OF BIRMINGHAM (GB) 2022-03-31 WO claimed
CN-110407704-A A kind of synthetic method of 3- formoxyl -2- nitrobenzene methyl CHANGZHOU WATSON FINE CHEMICAL TECH CO LTD 2019-11-05 CN claimed
CN-106460182-B The method of bath compositions and the electroless for palladium 安美特德国有限公司 2019-07-09 CN claimed
CN-103214432-B Based on 5-methyl isophthalic acid, α-(replacement) hydroxyamide derivatives of 2,3-thiadiazoles and its production and use NANKAI UNIVERSITY (CN) 2015-08-26 CN claimed
CN-103214432-A 5-methyl-1,2,3-thiadiazole based alpha-(substituted)oxyamide derivatives and preparation methods and application thereof UNIV NANKAI 2013-07-24 CN claimed
CN-103214475-A Alpha-(substituted)oxyamide derivatives containing 4-methyl-1,2,3-thiadiazole and preparation methods and application thereof UNIV NANKAI 2013-07-24 CN claimed
EP-2206706-B1 Method for producing acylamide compounds SALTIGO GMBH (DE) 2013-07-10 EP claimed
EP-2206705-B1 Method for manufacturing benzomorpholine derivatives through hydration of o-nitrophenoxycarbonyl compounds SALTIGO GMBH (DE) 2013-03-13 EP claimed
US-20100222578-A1 PROCESS FOR PREPARING ACYL AMIDE COMPOUNDS SALTIGO GMBH (DE) 2010-09-02 US claimed
EP-1670806-B9 PROCESS FOR PREPARATION OF ESTERS OF 2-DIAZO-3-TRIMETHYLSILYLOXY-3-BUTENOIC ACID RANBAXY LAB LTD (IN) 2010-06-02 EP claimed
EP-1670806-B1 PROCESS FOR PREPARATION OF ESTERS OF 2-DIAZO-3-TRIMETHYLSILYLOXY-3-BUTENOIC ACID RANBAXY LAB LTD (IN) 2010-01-06 EP claimed
EP-1283829-B1 METHOD FOR MAKING ACYLAMIDES BY SYNTHESIZING AND ACYLATING BENZOXAZINES SYNGENTA PARTICIPATIONS AG (CH) 2007-06-27 EP claimed
EP-1670806-A1 PROCESS FOR PREPARATION OF ESTERS OF 2-DIAZO-3-TRIMETHYLSILYLOXY-3-BUTENOIC ACID Ranbaxy Laboratories Limited (IN) 2006-06-21 EP claimed
US-6977299-B2 Method for making acylamides by synthesizing and acylating benzoxazines SYNGENTA CROP PROTECTION, INC. (US) 2005-12-20 US claimed
WO-2005021560-A1 PROCESS FOR PREPARATION OF ESTERS OF 2-DIAZO-3-TRIMETHYLSILYLOXY-3-BUTENOIC ACID RANBAXY LABORATORIES LIMITED (IN) 2005-03-10 WO claimed
US-20040044206-A1 Method for making acylamides by synthesizing and acylating benzoxazines SYNGENTA CROP PROTECTION, INC. 2004-03-04 US claimed
EP-1283829-A1 METHOD FOR MAKING ACYLAMIDES BY SYNTHESIZING AND ACYLATING BENZOXAZINES Syngenta Participations AG (CH) 2003-02-19 EP claimed
WO-2001090088-A1 METHOD FOR MAKING ACYLAMIDES BY SYNTHESIZING AND ACYLATING BENZOXAZINES SYNGENTA PARTICIPATIONS AG (CH) 2001-11-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230373962-A1 SUPRAMOLECULAR MOLECULES FOR THE TREATMENT OF CANCER PCNA, DDX1, DDX18 ALDH1A1 4454/4885TDP1 4223/4885RAB9A 1600/4885
US-20040044206-A1 Method for making acylamides by synthesizing and acylating benzoxazines AADAC, NAAA, HDHD5 ALDH1A1 767/4885TDP1 2695/4885RAB9A 4580/4885
US-20100222578-A1 PROCESS FOR PREPARING ACYL AMIDE COMPOUNDS NISCH, KAT2A, NAAA ALDH1A1 2838/4885TDP1 4497/4885RAB9A 742/4885

“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.