SCHEMBL88305

SCHEMBL88305

O=COCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
KCNH2 Q12809 6/20 0.53
IDO1 P14902 2/20 0.49
KCNJ1 P48048 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
AKR1C3 P42330 1/20 0.44
CHRM2 P08172 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 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
SCHEMBL5546769 0.90 TSHR (0.51) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL5535046 0.88 TSHR (0.50) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL67263 0.87 TSHR (0.49) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL5542243 0.87 KCNH2 (0.49) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL5535033 0.87 KCNH2 (0.49) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL7757641 0.84 TSHR (0.53) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL7083059 0.84 TSHR (0.53) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL7758234 0.84 TSHR (0.53) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL1212 0.81 IDO1 (0.61) TSHRIDO1LOXL2AKR1C3CHRM2
SCHEMBL3656180 0.81 TSHR (0.62) TSHRKCNH2IDO1KCNJ1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584956-B2 Selectively controllable cleavable linkers MICROSOFT TECHNOLOGY LICENSING, LLC (US) 2023-02-21 US claimed
EP-2921499-B1 METHOD FOR LIQUID-PHASE SYNTHESIS OF NUCLEIC ACIDS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-22 EP claimed
EP-2567964-B1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES INC (US) 2015-02-11 EP claimed
EP-2567964-A2 Monomer Compositions for the Synthesis of RNA, Methods of Synthesis, and Methods of Deprotection Agilent Technologies, Inc. (US) 2013-03-13 EP claimed
US-7759471-B2 nucleotide monomer used to make protected RNA that has similar stability to the DNA molecule AGILENT TECHNOLOGIES, INC. (US) 2010-07-20 US claimed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 US claimed
EP-1379698-B1 MOBILITY-MODIFIED NUCLEOBASE POLYMERS AND METHODS OF USING SAME APPLIED BIOSYSTEMS LLC (US) 2009-08-26 EP claimed
EP-2001896-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION Agilent Technologies, Inc. (US) 2008-12-17 EP claimed
WO-2007112263-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION AGILENT TECHNOLOGIES, INC. (US) 2007-10-04 WO claimed
US-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. 2007-05-03 US claimed
US-5756695-A MONOSIALOGANGLISIDE LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 1998-05-26 US claimed
EP-0821691-A1 METHODS OF SYNTHESIZING GM2 LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 1998-02-04 EP claimed
WO-1997041139-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT (US) 1997-11-06 WO claimed
WO-1997030061-A1 METHODS OF SYNTHESIZING GM2 LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 1997-08-21 WO claimed
US-5652358-A Solid-phase synthesis of oligoribonucleotides HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-29 US claimed
EP-0759927-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-05 EP claimed
US-5525711-A MONOMERS FOR DNA AMPLIFICATION PROCEDURES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US claimed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 WO claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 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 (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-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection RNGTT, RNMT, NSUN2 TSHR 4260/4885KCNH2 4669/4885IDO1 3029/4885

“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.