SCHEMBL2821245

SCHEMBL2821245

O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCCl)CCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
PTPN1 P18031 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CYP19A1 P11511 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL2521569 0.88 KMT2A (0.46) KMT2AMEN1CA1CA2MMP1
SCHEMBL231935 0.84 VCAM1 (0.56) KMT2AMEN1CA1CA2MMP1
SCHEMBL1984721 0.82 KMT2A (0.51) KMT2AMEN1CA1CA2MMP1
SCHEMBL4387858 0.82 KMT2A (0.51) KMT2AMEN1CA1CA2MMP1
SCHEMBL7226710 0.81 KMT2A (0.60) KMT2AMEN1CA1CA2MMP1
SCHEMBL23117030 0.81 KMT2A (0.50) KMT2AMEN1CA1CA2MMP1
SCHEMBL29768558 0.81 KMT2A (0.50) KMT2AMEN1CA1CA2MMP1
SCHEMBL10240181 0.81 KMT2A (0.50) KMT2AMEN1CA1CA2MMP1
SCHEMBL29719600 0.81 KMT2A (0.50) KMT2AMEN1CA1CA2MMP1
SCHEMBL967857 0.81 VCAM1 (0.52) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588925-B It is a kind of to prepare the luxuriant method of the pyridine ring of 1,4,7,10 4 azepine 2,6 天津羲泽润科技有限公司 2018-03-30 CN disclosed
CN-106588925-A Method for preparing 1,4,7,10-tetraaza-2,6-pyridinophane 天津羲泽润科技有限公司 2017-04-26 CN disclosed
EP-1740578-B1 4- 2- (CYCLOALKYLAMINO) PYRIMIDIN-4-YL ] - (PHENYL) - IMIDAZOLIN-2- ONE DERIVATIVES AS P38 MAP- KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES MITSUBISHI TANABE PHARMA CORP (JP) 2010-12-15 EP disclosed
US-7700771-B2 Heterocyclic compound which may be used as a medicine having p38 MAP kinase inhibitory activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-20 US disclosed
US-7423154-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-7423154-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-7423154-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2008-09-09 US disclosed
EP-1368325-B1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
EP-1368325-B1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1740578-A1 4- 2- (CYCLOALKYLAMINO) PYRIMIDIN-4-YL ] - (PHENYL) - IMIDAZOLIN-2- ONE DERIVATIVES AS P38 MAP- KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2007-01-10 EP disclosed
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-06-22 US disclosed
US-7045625-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-20060074238-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2006-04-06 US disclosed
WO-2005105790-A1 4- 2- (CYCLOALKYLAMINO) PYRIMIDIN-4-YL ! - (PHENYL) - IMIDAZOLIN-2- ONE DERIVATIVES AS P38 MAP- KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-11-10 WO disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 WO disclosed
US-20040077861-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2004-04-22 US disclosed
EP-1368325-A1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES AstraZeneca AB (SE) 2003-12-10 EP disclosed
WO-2002070492-A1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES ASTRAZENECA AB (SE) 2002-09-12 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 (3 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-20060074238-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates SRM, SULT2A1, PNMT KMT2A 73/4885MEN1 1450/4885CA1 3862/4885
US-20040077861-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates SRM, SULT2A1, PNMT KMT2A 73/4885MEN1 1450/4885CA1 3862/4885
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same KCNJ2, KCNN2, KCNH2 KMT2A 638/4885MEN1 2842/4885CA1 3575/4885

“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.