SCHEMBL753763

SCHEMBL753763

O=[N+]([O-])c1ccc(CS(=O)(=O)C(Br)Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 2/20 0.45
IDO1 P14902 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 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
SCHEMBL6748170 0.84 LOXL2 (0.47) LOXL2MEN1KMT2AHTTTSHR
SCHEMBL28357735 0.79 LOXL2 (0.57) LOXL2MEN1KMT2AHTTTSHR
SCHEMBL294284 0.77 LOXL2 (0.55) LOXL2MEN1KMT2AHTTTSHR
SCHEMBL1425399 0.76 LOXL2 (0.53) LOXL2MEN1KMT2AHTTTSHR
SCHEMBL515030 0.76 LOXL2 (0.53) LOXL2MEN1KMT2AHTTTSHR
SCHEMBL1425484 0.76 LOXL2 (0.53) LOXL2MEN1KMT2AHTTTSHR
SCHEMBL2999944 0.76 CA2 (0.59) LOXL2MEN1KMT2AHTTTSHR
SCHEMBL6940919 0.76 LOXL2 (0.53) LOXL2MEN1KMT2AHTTTSHR
Lithium Ion SCHEMBL8022514 0.76 LOXL2 (0.53) LOXL2MEN1KMT2AHTTTSHR
SCHEMBL515031 0.76 LOXL2 (0.53) LOXL2MEN1KMT2AHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213166-B1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GMBH (DE) 2012-03-21 EP claimed
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US claimed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US disclosed
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US 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-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone MBTD1, MPST, B2M LOXL2 3294/4885MEN1 2557/4885KMT2A 2043/4885

“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.