SCHEMBL3734126

SCHEMBL3734126

O=[N+]([O-])c1ccc(S(=O)(=O)n2ccnn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 1/20 0.47
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
ACHE P22303 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
SCHEMBL1976805 0.78 CA1 (0.50) LMNASMN1; SMN2MEN1PKMKMT2A
SCHEMBL6820313 0.78 CYP2C19 (0.42) PARLLMNASMN1; SMN2MEN1HPGD
SCHEMBL11286964 0.76 ALDH1A1 (0.42) LMNASMN1; SMN2MEN1KMT2ACA1
SCHEMBL29588103 0.74 ALDH1A1 (0.41) PARLLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1260021 0.71 NOTUM (0.55) MEN1KMT2AALDH1A1
SCHEMBL31024013 0.71 TP53 (0.59) PARLKMT2ACA1CA2CA12
SCHEMBL1096992 0.71 PARL (0.47) PARLLMNASMN1; SMN2MEN1PKM
SCHEMBL15315388 0.70 CA2 (0.58) PARLLMNASMN1; SMN2CA1CA2
SCHEMBL1519692 0.68 ALDH1A1 (0.69) PARLLMNASMN1; SMN2MEN1KMT2A
SCHEMBL3141993 0.68 CYP19A1 (0.57) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022215745-A1 SUBSTANCE OF NOVEL SIDEROPHORE-TYPE ANTIFUNGAL AGENT (COMPOUND) AND USE OF SAME 国立研究開発法人理化学研究所 2022-10-13 WO disclosed
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
US-20090233366-A1 COMPOSITION FOR INTRODUCTION OF NUCLEIC ACID DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-2080767-A1 COMPOSITION FOR INTRODUCTION OF NUCLEIC ACID Daiichi Sankyo Company, Limited (JP) 2009-07-22 EP disclosed
US-20090022782-A1 Blood Retainable Device Exhibiting Selective Degradability in Tumor Tissue NATIONAL UNIVERSITY CORP. HOKKAIDO UNIVERSITY (JP) 2009-01-22 US disclosed
US-7396930-B2 making spiro(benzo(c)thiophene-1 (3H),4'-piperidine) derivatives; involves reacting a mercapto compound with a 2-halophenylalkyl halide, reacting with an alkyllithium, then N-ethoxycarbonyl-4-piperidone, dehydration and cyclization; industrial scale; novel intermediates to neurokinin receptor antagonist SANKYO COMPANY, LIMITED (JP) 2008-07-08 US disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP disclosed
EP-1862470-A1 ELEMENT RETAINED IN BLOOD SHOWING DEGRADABILITY SELECTIVELY IN TUMOR TISSUE National University Corporation Hokkaido University (JP) 2007-12-05 EP disclosed
US-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 US disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
US-5451688-A Inhibit biosynthesis of cholesterol SANKYO COMPANY, LIMITED (JP) 1995-09-19 US disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
US-4474947-A Benzazolides and their employment in phosphate ester oligonucleotide synthesis processes BIOSEARCH (US) 1984-10-02 US disclosed
US-4426517-A Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1984-01-17 US disclosed
US-4419509-A Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1983-12-06 US disclosed
US-4417046-A Process for isolating oligonucleotide product from a coupling reaction mixture ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0075392-A1 Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1983-03-30 EP disclosed
EP-0002322-A2 Improved Triester process for the synthesis of oligonucleotides GENENTECH, INC. (US) 1979-06-13 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 (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-20070010695-A1 Diphosphines, preparation and uses thereof MPI, ITPA, DCPS PARL 3246/4885LMNA 4484/4885SMN1; SMN2 4697/4885
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 PARL 2785/4885LMNA 1421/4885SMN1; SMN2 3633/4885

“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.