SCHEMBL459609

SCHEMBL459609

O=C(O)c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.72
TSHR P16473 2/20 0.66
LMNA P02545 1/20 0.61
GPR35 Q9HC97 1/20 0.58
HCAR3 P49019 8/20 0.56
KDM4E B2RXH2 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
PTGS2 P35354 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TPMT P51580 1/20 0.54

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
SCHEMBL31011353 1.00 CASP6 (0.72) CASP6TSHRLMNAGPR35HCAR3
SCHEMBL2797668 0.87 TPMT (0.58) CASP6TSHRLMNAHCAR3CA12
SCHEMBL2405926 0.86 CASP6 (0.59) CASP6TSHRLMNAGPR35HCAR3
SCHEMBL106249 0.85 CASP6 (0.72) CASP6TSHRLMNAGPR35HCAR3
SCHEMBL2636747 0.85 CASP6 (0.72) CASP6TSHRLMNAGPR35HCAR3
SCHEMBL504055 0.84 CASP6 (1.00) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL29577830 0.84 CASP6 (1.00) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL9339498 0.83 GPR35 (0.56) CASP6TSHRLMNAGPR35KDM4E
SCHEMBL1898142 0.83 CASP6 (0.70) CASP6TSHRLMNAGPR35HCAR3
SCHEMBL4305881 0.83 GPR35 (0.56) CASP6TSHRGPR35POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166605-A1 PROCESS FOR THE PREPARATION OF A PDE4 INHIBITOR CHIESI FARMACEUTICI S.P.A. (IT) 2024-05-23 US claimed
CN-115722210-B Recursive nanofiber-based detection material and preparation method and application thereof 广西大学 2024-02-20 CN claimed
CN-117003404-A High ammonia nitrogen wastewater treatment reagent 苏州森荣环保处置有限公司 2023-11-07 CN claimed
CN-112851646-B Preparation method of tergolian prazan 中国医学科学院药物研究所 2023-06-13 CN claimed
CN-115722210-A Recursive nanofiber-based detection material and preparation method and application thereof 广西大学 2023-03-03 CN claimed
CN-115073296-B Method and device for rapidly detecting propylene glycol in food 深圳市易瑞生物技术股份有限公司 2022-11-01 CN claimed
EP-4059921-A1 PROCESS FOR THE PREPARATION OF A PDE4 INHIBITOR Chiesi Farmaceutici S.p.A. (IT) 2022-09-21 EP claimed
CN-115073296-A Method and device for rapidly detecting propylene glycol in food 深圳市易瑞生物技术股份有限公司 2022-09-20 CN claimed
CN-112851646-A Preparation method of Tegolrazan 中国医学科学院药物研究所 2021-05-28 CN claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-5830999-A CARBOXYLIC LIGANDS, HEXAMERS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-11-03 US claimed
EP-0519971-B1 NOVEL PHARMACEUTICALLY ACTIVE COMPOUNDS WHICH CAN BE FORMED FROM 1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO-(1,2-a)-PYRIMIDINE INST SOZIAL MED FORSCHUNG SA (CH) 1997-01-15 EP claimed
EP-0539274-B1 Method for the synthesis of aldehydes and of their derivatives RHONE POULENC CHIMIE (FR) 1996-04-10 EP claimed
EP-0519971-A1 NOVEL PHARMACEUTICALLY ACTIVE COMPOUNDS WHICH CAN BE FORMED FROM 1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO-(1,2-a)-PYRIMIDINE. EEC PHARMA SA (FR) 1992-12-30 EP claimed
EP-0291865-B1 ELECTROCHEMICAL SYNTHESIS OF SUBSTITUTED AROMATIC AMINES IN BASIC MEDIA THE DOW CHEMICAL COMPANY (US) 1992-08-12 EP claimed
WO-1991013886-A1 NOVEL PHARMACEUTICALLY ACTIVE COMPOUNDS WHICH CAN BE FORMED FROM 1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO-(1,2-a)-PYRIMIDINE EEC-PHARMA S.A. (FR) 1991-09-19 WO claimed
WO-1988009398-A1 ELECTROCHEMICAL SYNTHESIS OF SUBSTITUTED AMINES IN BASIC MEDIA THE DOW CHEMICAL COMPANY (US) 1988-12-01 WO claimed
EP-0291865-A2 Electrochemical synthesis of substituted aromatic amines in basic media THE DOW CHEMICAL COMPANY (US) 1988-11-23 EP claimed
US-4764263-A Electrochemical synthesis of substituted aromatic amines in basic media THE DOW CHEMICAL COMPANY (US) 1988-08-16 US claimed
US-4005145-A ISOMERIZATION OF A,B-UNSATURATED OXO COMPOUNDS TO B,G-ISOMER HOFFMANN-LA ROCHE INC. (US) 1977-01-25 US 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 (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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS CASP6 3234/4885TSHR 1605/4885LMNA 4734/4885
US-20240166605-A1 PROCESS FOR THE PREPARATION OF A PDE4 INHIBITOR PDE4A, PDE12, PDE4B CASP6 2338/4885TSHR 4158/4885LMNA 1957/4885

“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.