SCHEMBL3734130

SCHEMBL3734130

O=[N+]([O-])c1ccc(S(=O)(=O)c2c[nH]nn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.48
KMT2A Q03164 3/20 0.47
HSP90AA1 P07900 1/20 0.47
CXCR5 P32302 1/20 0.47
APLNR P35414 1/20 0.47
RAB9A P51151 1/20 0.47
CCR6 P51684 1/20 0.47
GFER P55789 1/20 0.47
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 5/20 0.44
CA12 O43570 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CA3 P07451 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA13 Q8N1Q1 3/20 0.44
CA5B Q9Y2D0 3/20 0.44

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
SCHEMBL27533812 0.84 TXNRD1 (0.42) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL27399885 0.82 NCF1 (0.41) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL1976807 0.78 GAA (0.52) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL6820319 0.78 HTR6 (0.48) AGTR1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4730663 0.75 AKR1B1 (0.33)
SCHEMBL2054702 0.74 CA1 (0.41) CA1CA2CA9CA12GAA
SCHEMBL11855965 0.74 CA2 (0.67) AGTR1KMT2ACA1CA2CA9
SCHEMBL3158508 0.74 CA2 (0.67) AGTR1KMT2ACA1CA2CA9
SCHEMBL11419996 0.74 CA2 (0.67) AGTR1KMT2ACA1CA2CA9
SCHEMBL4006032 0.71 XDH (0.51) KMT2ARAB9AGFERCA1CA2

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 80 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 AGTR1 4344/4885KMT2A 3070/4885HSP90AA1 4560/4885
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 AGTR1 379/4885KMT2A 2696/4885HSP90AA1 4750/4885

“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.