SCHEMBL161797

SCHEMBL161797

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
RAB9A P51151 2/20 0.49
IDO1 P14902 2/20 0.49
AKR1C3 P42330 1/20 0.48
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAOB P27338 1/20 0.45
TGM2 P21980 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL28909345 0.89 HTR2A (0.46) HTR2ARAB9AHTTALDH1A1MAOB
SCHEMBL37664 0.87 HTR2A (0.62) HTR2ARAB9AIDO1AKR1C3HTT
SCHEMBL9208980 0.83 HTR2A (0.56) HTR2ARAB9AIDO1AKR1C3HTT
SCHEMBL9676749 0.81 HTR2A (0.57) HTR2ARAB9AIDO1AKR1C3HTT
SCHEMBL6645015 0.81 RAB9A (0.61) HTR2ARAB9AIDO1AKR1C3HTT
SCHEMBL4725847 0.81 HTR2A (0.59) HTR2ARAB9AIDO1AKR1C3HTT
SCHEMBL1029307 0.81 HTR2A (0.59) HTR2ARAB9AIDO1AKR1C3HTT
SCHEMBL11000854 0.81 HTR2A (0.53) HTR2ARAB9AIDO1AKR1C3HTT
SCHEMBL30086 0.81 HTR2A (0.56) HTR2ARAB9AALDH1A1TGM2MAPT
SCHEMBL8571160 0.80 IDO1 (0.53) HTR2ARAB9AIDO1AKR1C3HTT

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 1823 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3063164-B1 SYNTHETIC ROUTE TO 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES OTSUKA PHARMA CO LTD (JP) 2018-12-05 EP claimed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
US-12037355-B2 Triterpene saponin analogues ADJUVANCE TECHNOLOGIES, INC. (US) 2024-07-16 US disclosed
CN-118355117-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2024-07-16 CN disclosed
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
WO-2024147060-A1 NOVEL IONIZABLE LIPID COMPOUNDS FOR NUCLEIC ACID DELIVERY CELON PHARMA S.A. (PL) 2024-07-11 WO disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
WO-2007008226-A9 PALLADIUM-CATALYZED CARBON-CARBON BOND FORMING REACTIONS HARVARD COLLEGE (US) 2007-05-24 WO disclosed
US-20070066851-A1 Palladium-catalyzed carbon-carbon bond forming reactions NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2007-03-22 US disclosed
US-20060287520-A1 Synthesis of salinosporamide A and analogues thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-12-21 US disclosed
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-12-22 US disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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 (7 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-20070066851-A1 Palladium-catalyzed carbon-carbon bond forming reactions APEX1, PCNA, DNMT3A HTR2A 4650/4885RAB9A 3319/4885IDO1 1593/4885
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC HTR2A 4066/4885RAB9A 3065/4885IDO1 1844/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 HTR2A 3340/4885RAB9A 4790/4885IDO1 1297/4885
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 HTR2A 4246/4885RAB9A 968/4885IDO1 4569/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR2A 3718/4885RAB9A 1269/4885IDO1 1527/4885
US-12037355-B2 Triterpene saponin analogues LSS, NFATC1, PGGT1B HTR2A 4655/4885RAB9A 3843/4885IDO1 579/4885
US-20060287520-A1 Synthesis of salinosporamide A and analogues thereof PSMB5, ERG28, PSMB11 HTR2A 2626/4885RAB9A 1592/4885IDO1 2476/4885

“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.