SCHEMBL1956544

SCHEMBL1956544

O=[N+]([O-])n1nnnc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 1/20 0.55
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
MITF O75030 1/20 0.49
MAPT P10636 1/20 0.49
PTGS2 P35354 2/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
Benzene SCHEMBL27998218 0.73 SMN1; SMN2 (0.35) SMN1; SMN2PKMLMNAHTTMITF
SCHEMBL4666990 0.72 KMT2A (0.52) SMN1; SMN2PKMLMNAHTTMITF
SCHEMBL27538679 0.71 SMN1; SMN2 (1.00) SMN1; SMN2PKMLMNAHTTMITF
SCHEMBL4408189 0.71 ALDH1A1 (0.41) SMN1; SMN2PKMALDH1A1HSD11B1
Hydrochloric Acid SCHEMBL10438690 0.70 SMN1; SMN2 (0.97) SMN1; SMN2PKMLMNAHTTMITF
Hydrochloric Acid SCHEMBL28993090 0.69 SMN1; SMN2 (0.94) SMN1; SMN2PKMLMNAHTTMITF
SCHEMBL23113874 0.67 ALDH1A1 (0.50) SMN1; SMN2PKMLMNAHTTPTGS2
SCHEMBL5285566 0.67 ALDH1A1 (0.50) SMN1; SMN2PKMLMNAHTTPTGS2
SCHEMBL4407324 0.67 ALDH1A1 (0.50) SMN1; SMN2PKMLMNAHTTPTGS2
SCHEMBL2327352 0.67 ALDH1A1 (0.50) SMN1; SMN2PKMLMNAHTTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4601817-B2 2010-12-22 JP claimed
EP-1019423-B1 METHOD FOR PRODUCING A PENTOPYRANOSYL NUCLEOSIDE NANOGEN RECOGNOMICS GMBH (DE) 2003-02-26 EP claimed
EP-1019423-A2 METHOD FOR PRODUCING A PENTOPYRANOSYL NUCLEOSIDE Nanogen Recognomics GmbH (DE) 2000-07-19 EP claimed
WO-1999015540-A2 METHOD FOR PRODUCING A PENTOPYRANOSYL NUCLEOSIDE AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1999-04-01 WO claimed
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 EP disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
CN-110713466-A New C-H activation method for meta-position nitration guided by tetrazole 四川大学 2020-01-21 CN disclosed
CN-102812020-B Method for preparing tetrazole methanesulfonic acid salts, and novel compound used in same HANMI SCIENCE CO LTD 2015-03-18 CN disclosed
US-8940908-B2 Method for preparing tetrazole methanesulfonic acid salts, and novel compound used in same HANMI SCIENCE CO., LTD (KR) 2015-01-27 US disclosed
EP-2524916-B1 METHOD FOR PREPARING TETRAZOLE METHANESULFONIC ACID SALTS, AND NOVEL COMPOUND USED IN SAME HANMI SCIENCE CO LTD (KR) 2014-07-23 EP disclosed
WO-2000014219-A2 PEPTIDE NUCLEIC ACID-OLIGOADENYLATE CHIMERIC MOLECULES THE GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-03-16 WO disclosed
EP-0775149-A4 NOVEL PROTECTING GROUPS AND USE THEREOF IN AN IMPROVED PROCESS FOR OLIGONUCLEOTIDE SYNTHESIS UNIV COLORADO (US) 1999-02-24 EP disclosed
EP-0775149-A1 NOVEL PROTECTING GROUPS AND USE THEREOF IN AN IMPROVED PROCESS FOR OLIGONUCLEOTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 1997-05-28 EP disclosed
WO-1996041809-A1 NOVEL PROTECTING GROUPS AND USE THEREOF IN AN IMPROVED PROCESS FOR OLIGONUCLEOTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 1996-12-27 WO disclosed
WO-1996016073-A2 CODON AMIDITES AND METHOD OF USING THEM TO PRODUCE OLIGONUCLEOTIDES AND MUTAGENESIS LIBRARIES TERRAPIN TECHNOLOGIES, INC. (US) 1996-05-30 WO disclosed
EP-0441886-A1 EXPRESSION AND PROCESSING OF AUTHENTIC FGF'S IN YEAST. CHIRON CORP (US) 1991-08-21 EP disclosed
WO-1991004983-A1 NUCLEOSIDE AND POLYNUCLEOTIDE THIOPHOSPHORAMIDITE AND PHOSPHORODITHIOATE COMPOUNDS AND PROCESSES UNIVERSITY PATENTS, INC. (US) 1991-04-18 WO disclosed
WO-1990005184-A1 EXPRESSION AND PROCESSING OF AUTHENTIC FGF'S IN YEAST CHIRON CORPORATION (US) 1990-05-17 WO 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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD SMN1; SMN2 2662/4885PKM 246/4885LMNA 2783/4885

“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.