SCHEMBL1148907

SCHEMBL1148907

O=S(=O)(NCCBr)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
PKM P14618 1/20 0.70
TAAR1 Q96RJ0 1/20 0.60
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.55
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CYP19A1 P11511 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.53
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
CA9 Q16790 1/20 0.51
TP53 P04637 1/20 0.50

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
SCHEMBL18377408 0.82 SIGMAR1 (0.67) ALDH1A1MEN1KMT2APKMGAA
SCHEMBL6354094 0.81 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1148808 0.81 TSHR (0.67) ALDH1A1MEN1KMT2AGAACA1
SCHEMBL28208392 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2APKMTAAR1
SCHEMBL20522284 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2APKMTAAR1
SCHEMBL3279019 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2APKMTAAR1
SCHEMBL14046920 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2APKMTAAR1
SCHEMBL8970754 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2APKMTAAR1
SCHEMBL4235505 0.80 ALDH1A1 (0.68) ALDH1A1PKMTAAR1LMNASMN1; SMN2
SCHEMBL27727848 0.79 GBA1 (0.54) ALDH1A1MEN1KMT2APKMCYP19A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 US disclosed
EP-2215082-B1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-09-21 EP disclosed
US-7884114-B2 N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis GLAXO GROUP LIMITED (GB) 2011-02-08 US disclosed
US-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-7648985-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
CN-101525339-A Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB 2009-09-09 CN disclosed
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-01-01 US disclosed
CN-1968956-A Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-05-23 CN disclosed
EP-1765832-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123748-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 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 (5 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-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH1 ALDH1A1 1732/4885MEN1 1257/4885KMT2A 631/4885
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E ALDH1A1 468/4885MEN1 2587/4885KMT2A 3987/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E ALDH1A1 468/4885MEN1 2587/4885KMT2A 3987/4885
US-20090270355-A1 Compounds CMA1, HRH4, CCL11 ALDH1A1 1252/4885MEN1 1338/4885KMT2A 1977/4885
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS HRH1, HRH2, HRH4 ALDH1A1 972/4885MEN1 1507/4885KMT2A 803/4885

“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.