SCHEMBL8358751

SCHEMBL8358751

O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A3 Q01959 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
RAB9A P51151 2/20 0.66
ALDH1A1 P00352 1/20 0.64
HTT P42858 2/20 0.63
ALOX5 P09917 1/20 0.62
LMNA P02545 1/20 0.57
NPC1 O15118 1/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
MEN1 O00255 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 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
SCHEMBL11200758 0.94 ALDH1A1 (0.62) KMT2ASLC6A2SLC6A3TDP1RAB9A
SCHEMBL523154 0.94 KMT2A (0.67) KMT2ASLC6A2SLC6A3TDP1RAB9A
SCHEMBL11116815 0.88 MEN1 (0.72) KMT2ARAB9AALDH1A1HTTLMNA
SCHEMBL6766307 0.87 HTT (0.65) KMT2ASLC6A2SLC6A3TDP1RAB9A
SCHEMBL11684706 0.87 ALDH1A1 (0.63) KMT2ARAB9AALDH1A1HTTALOX5
SCHEMBL9385816 0.86 ALDH1A1 (0.66) KMT2ARAB9AALDH1A1HTTMEN1
SCHEMBL9385826 0.86 ALDH1A1 (0.66) KMT2ARAB9AALDH1A1HTTMEN1
SCHEMBL12642453 0.86 KMT2A (0.60) KMT2ASLC6A2SLC6A3TDP1RAB9A
SCHEMBL10600006 0.86 RAB9A (0.81) KMT2ATDP1RAB9AALDH1A1HTT
SCHEMBL8141752 0.85 HTT (0.68) RAB9AALDH1A1HTTNPC1L3MBTL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63132086-A None JP disclosed
CN-115785154-A Heteroaromatic ring compounds and medical use thereof 希格生科(深圳)有限公司 2023-03-14 CN disclosed
WO-2016079759-A1 NOVEL SINGLE STEP ESTERIFICATION PROCESS OF ALDEHYDES USING A HETEROGENEOUS CATALYST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-26 WO disclosed
US-8822724-B2 Method for producing carboxylic acid amide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-02 US disclosed
EP-2599769-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE Sumitomo Chemical Company Limited (JP) 2013-06-05 EP disclosed
US-20130123505-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED 2013-05-16 US disclosed
US-5945325-A MUTANT ENZYME WITH SPECIFIC AMINO ACID SUBSTITUTIONS ISOLATED FROM LIBRARY; FOR DEBLOCKING, DEPROTECTING BETA-LACTAM ANTIBIOTICS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-08-31 US disclosed
US-5906930-A NUCLEIC ACID CODING FOR MUTANT ENZYME; FOR REMOVAL OF CARBOXY ACID PROTECTING GROUPS DURING SYNTHESIS OF ANTIBIOTICS LIKE LORACARBEF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-05-25 US disclosed
EP-0876490-A1 PARA-NITROBENZYL ESTERASES WITH ENHANCED ACTIVITY IN AQUEOUS AND NONAQUEOUS MEDIA CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-11 EP disclosed
US-5741691-A Para-nitrobenzyl esterases with enhanced activity in aqueous and nonaqueous media CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-04-21 US disclosed
WO-1997027304-A9 PARA-NITROBENZYL ESTERASES WITH ENHANCED ACTIVITY IN AQUEOUS AND NONAQUEOUS MEDIA 1997-10-09 WO disclosed
WO-1997027304-A1 PARA-NITROBENZYL ESTERASES WITH ENHANCED ACTIVITY IN AQUEOUS AND NONAQUEOUS MEDIA CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-07-31 WO disclosed
US-4977256-A Method of eliminating protective groups LEDERLE (JAPAN), LTD. (JP) 1990-12-11 US disclosed
JP-S63132086-A HEAT-SENSITIVE RECORDING PAPER CONTAINING COMPOUND OF NITROBENZYL BENZOATE AS SENSITIZER SHIN NISSO KAKO CO LTD 1988-06-04 JP 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 (1 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-20130123505-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE HCAR2, NAAA, FAAH2 KMT2A 390/4885SLC6A2 3791/4885SLC6A3 3781/4885

“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.