SCHEMBL2005995

SCHEMBL2005995

O=C(O)NC1CN(c2ccccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.54
CHRM4 P08173 1/20 0.53
GRIN2B Q13224 2/20 0.50
ALDH1A1 P00352 4/20 0.49
GRM1 Q13255 6/20 0.49
KDM4E B2RXH2 4/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
GRM5 P41594 1/20 0.47
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL2974486 0.88 CA12 (0.60) USP30ALDH1A1GRM1KDM4ECA12
SCHEMBL2001966 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL25587376 0.82 USP30 (0.53) USP30CHRM4GRIN2BALDH1A1GRM1
SCHEMBL21228013 0.80 ALDH1A1 (0.53) USP30CHRM4ALDH1A1
SCHEMBL15380131 0.80 GLS (0.46) CHRM4
SCHEMBL30599874 0.79 PDE10A (0.57) USP30CHRM4GRIN2BGRM1
SCHEMBL21227871 0.79 PDE10A (0.57) USP30CHRM4GRIN2BGRM1
SCHEMBL17234262 0.79 GRIN2B (0.54) GRIN2BALDH1A1GRM1KDM4ECYP3A4
SCHEMBL30797161 0.78 USP30 (0.49) USP30CHRM4ALDH1A1GRM1KDM4E
SCHEMBL20364268 0.77 HSD17B10 (0.51) GRIN2BALDH1A1GRM1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192960-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-10-05 WO disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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 (2 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 USP30 2253/4885CHRM4 2554/4885GRIN2B 427/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 USP30 2253/4885CHRM4 2554/4885GRIN2B 427/4885

“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.