SCHEMBL2224577

SCHEMBL2224577

CN(C)S(=O)(=O)c1cccc(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
TNF P01375 1/20 0.51
NOD1 Q9Y239 1/20 0.51
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 8/20 0.45
LMNA P02545 4/20 0.43
POLB P06746 1/20 0.42
LOX P28300 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL22042464 0.83 ALDH1A1 (0.51) RAB9ANPC1TNFNOD1CA12
SCHEMBL7163455 0.82 RAB9A (0.63) RAB9ANPC1TNFNOD1CA1
SCHEMBL30402657 0.79 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL41941 0.79 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL17161329 0.79 CA2 (0.47) RAB9ACA12CA1CA2CA9
SCHEMBL4921765 0.78 ALDH1A1 (0.53) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL6853269 0.78 ALDH1A1 (0.50) RAB9ANPC1CA12CA1CA2
SCHEMBL31604493 0.78 ALDH1A1 (0.50) RAB9ANPC1CA12CA1CA2
SCHEMBL12250858 0.77 RAB9A (0.44) RAB9ANPC1TNFNOD1MEN1
SCHEMBL2595955 0.76 ALDH1A1 (0.63) RAB9ANPC1TNFNOD1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023201012-A1 IKZF2 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-19 WO disclosed
WO-2023201012-A1 IKZF2 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-19 WO disclosed
CN-109153642-B Indole and azaindole halogenated allylamine derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2022-05-17 CN disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 US disclosed
EP-3414226-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF Pharmaxis Ltd. (AU) 2018-12-19 EP disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-02-07 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
US-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 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 (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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B RAB9A 1723/4885NPC1 670/4885TNF 2103/4885
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE ERBB2, ABL1, IGF1R RAB9A 891/4885NPC1 2370/4885TNF 4457/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 RAB9A 2020/4885NPC1 620/4885TNF 1719/4885
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT RAB9A 2574/4885NPC1 3010/4885TNF 3823/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT RAB9A 2574/4885NPC1 3010/4885TNF 3823/4885

“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.