SCHEMBL671515

SCHEMBL671515

O=CCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.60
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ KCNH2 Q12809 4/20 0.53
▸ KCNJ1 P48048 4/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.50
▸ IDO1 P14902 2/20 0.48
▸ CHRM2 P08172 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45

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
SCHEMBL3237707 0.89 TSHR (0.56) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL15453241 0.85 TSHR (0.53) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL15453242 0.85 TSHR (0.53) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL3292782 0.83 TSHR (0.75) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL8956380 0.82 TSHR (0.58) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL8734120 0.82 TSHR (0.58) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL9528716 0.81 LOXL2 (0.59) TSHRLOXL2KCNH2KCNJ1IDO1
SCHEMBL483755 0.81 LOXL2 (0.59) TSHRLOXL2KCNH2KCNJ1IDO1
SCHEMBL9671868 0.80 HIF1A (0.37) ALDH1A1CA2
SCHEMBL22622364 0.79 KCNH2 (0.56) TSHRLOXL2KCNH2KCNJ1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104311567-B One prepares the method for 4-amino-3-(4-amino-benzene) furo [2,3-d] pyrimidine SHANGHAI INSTITUTE OF TECHNOLOGY (CN) 2016-04-27 — — CN claimed
CN-104311567-A Method for preparing 4-amino-3-(4-aminobenzene)furo[2,3-d] pyrimidine SHANGHAI INST TECHNOLOGY 2015-01-28 — — CN claimed
EP-2210900-A2 Analogues of GLP-1 IPSEN PHARMA (FR) 2010-07-28 — — 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
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
EP-1711523-A4 ANALOGUES OF GLP-1 SOD CONSEILS RECH APPLIC (FR) 2008-05-21 — — 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-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-05-03 — — US 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-20070042952-A1 Analogues of glp-1 IPSEN PHARMA S.A.S. (FR) 2007-02-22 — — US claimed
EP-1711523-A1 ANALOGUES OF GLP-1 SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2006-10-18 — — EP claimed
WO-2005058955-A1 ANALOGUES OF GLP-1 SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2005-06-30 — — WO claimed
US-20240217917-A1 PHOTOLYTICALLY DEGRADABLE COMPOUNDS AND METHODS THE UNIVERSITY OF STAVANGER (NO) 2024-07-04 — — US disclosed
WO-2024044657-A1 BIOCATALYSTS AND METHODS THEREOF TESARO, INC. (US) 2024-02-29 — — WO disclosed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 — — CN disclosed
CN-107537481-B Supported monatomic rhodium-based catalyst and application thereof in olefin hydroformylation reaction 中国科学院大连化学物理研究所 2020-03-31 — — CN disclosed
WO-1992021691-A1 2',5'-NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1992-12-10 — — WO disclosed
US-4424331-A Stable, anaerobically-hardening adhesives containing mixed amine oxide/HN-acidic compound initiators HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-01-03 — — US disclosed
US-4386194-A ACRYLIC ESTERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-05-31 — — US disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 — — 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 (4 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 4260/4885LOXL2 2854/4885KCNH2 4669/4885
US-20070042952-A1 Analogues of glp-1 GLP1R, IAPP, GIPR TSHR 117/4885LOXL2 3736/4885KCNH2 2050/4885
US-20240217917-A1 PHOTOLYTICALLY DEGRADABLE COMPOUNDS AND METHODS DDT, DDC, CTRC TSHR 2972/4885LOXL2 2047/4885KCNH2 2301/4885
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection POLN, NT5C3B, PCNA TSHR 4204/4885LOXL2 4192/4885KCNH2 4565/4885

“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.

Send feedback