SCHEMBL752794

SCHEMBL752794

O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)C(Br)(Br)Br

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.59
MAPK1 P28482 3/20 0.49
TSHR P16473 1/20 0.49
VCAM1 P19320 1/20 0.46
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
PDE7A Q13946 4/20 0.42
PDE7B Q9NP56 4/20 0.42
CCR2 P41597 2/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL752795 1.00 KIF18A (0.59) KIF18AMAPK1TSHRVCAM1FLT1
SCHEMBL1052777 0.81 KIF18A (0.64) KIF18AMAPK1TSHRVCAM1FLT1
SCHEMBL30821752 0.81 KIF18A (0.64) KIF18AMAPK1TSHRVCAM1FLT1
SCHEMBL751494 0.80 TSHR (0.55) TSHRVCAM1ALDH1A1
SCHEMBL751493 0.80 TSHR (0.55) TSHRVCAM1ALDH1A1
SCHEMBL9012097 0.79 KIF18A (0.62) KIF18AMAPK1TSHRVCAM1FLT1
SCHEMBL27334707 0.79 KIF18A (0.62) KIF18AMAPK1TSHRVCAM1FLT1
SCHEMBL7813933 0.79 KIF18A (0.62) KIF18AMAPK1TSHRVCAM1FLT1
SCHEMBL32679728 0.79 KIF18A (0.62) KIF18AMAPK1TSHRVCAM1FLT1
Hydrochloric Acid SCHEMBL28104854 0.78 KIF18A (0.60) KIF18AMAPK1TSHRVCAM1FLT1

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 10 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
EP-2213166-A1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GmbH (DE) 2010-08-04 EP claimed
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US claimed
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP disclosed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
EP-2213166-B1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GMBH (DE) 2012-03-21 EP disclosed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP disclosed
EP-2213166-A1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GmbH (DE) 2010-08-04 EP 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 KIF18A 3723/4885MAPK1 3917/4885TSHR 4791/4885

“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.