SCHEMBL96363

SCHEMBL96363

O=[C]OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
LMNA P02545 1/20 0.52
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 1/20 0.49
PYCR1 P32322 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
F2 P00734 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5535836 0.84 TSHR (0.54) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL1767329 0.82 TSHR (0.65) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL7005132 0.82 CYP19A1 (0.45) TSHRLMNAALDH1A1
SCHEMBL791926 0.81 TSHR (0.62) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL20337575 0.79 TSHR (0.61) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL402251 0.79 IDO1 (0.62) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL4798585 0.79 TSHR (0.61) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL5717162 0.79 TSHR (0.61) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL9628070 0.79 TSHR (0.66) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL1211 0.79 IDO1 (0.61) TSHRMAOBALDH1A1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396296-A Preparation method of ertapenem 武汉瑞晟药业有限公司 2023-07-07 CN claimed
WO-2005016869-A1 NOVEL DENDRIMER COMPOUND, A BIOCHIP USING THE SAME AND A FABRICATING METHOD THEREOF POSTECH FOUNDATION (KR) 2005-02-24 WO claimed
CN-116396296-A Preparation method of ertapenem 武汉瑞晟药业有限公司 2023-07-07 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
EP-1348712-B1 Processes and intermediates in the synthesis of L-thymidine MITSUI CHEMICALS INC (JP) 2011-05-04 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-4977256-A Method of eliminating protective groups LEDERLE (JAPAN), LTD. (JP) 1990-12-11 US disclosed
US-4933444-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 US disclosed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
US-4891369-A BETA-LACTAMASE INHIBITORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1990-01-02 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
EP-0331394-A1 Process for preparing 2 beta-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1989-09-06 EP disclosed
EP-0273599-A1 Process for preparing 2beta-substituted-methyl-penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-07-06 EP disclosed
EP-0272016-A1 2beta-substituted-methylpenicillanic acid derivatives, and salts and esters thereof TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-22 EP disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 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 (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-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TSHR 110/4885LMNA 4860/4885MAOB 4538/4885

“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.