SCHEMBL5184355

SCHEMBL5184355

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCNCC2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.36
ATAD2 Q6PL18 2/20 0.36
HTR6 P50406 2/20 0.36
HTR2A P28223 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
CYP1A2 P05177 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM1A O60341 3/20 0.34
CISD1 Q9NZ45 1/20 0.34
SLC6A2 P23975 1/20 0.34
MAOB P27338 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A4 P31645 1/20 0.34
KHK P50053 2/20 0.34
CHEK1 O14757 2/20 0.33
NSD3 Q9BZ95 1/20 0.33

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
SCHEMBL17844164 0.86 KAT2B (0.38) HTR6HTR2ACYP1A2CLK4KDM1A
SCHEMBL17844153 0.79 MAPK8 (0.41) ALDH1A1MAPK1HSD17B10MAPK8
SCHEMBL17844250 0.79 KAT2B (0.41) DRD2ALDH1A1LMNATP53TSHR
SCHEMBL3546550 0.76 LMNA (0.42) CYP1A2ALDH1A1LMNA
SCHEMBL17844131 0.76 DDB1 (0.32)
SCHEMBL17844209 0.76 PARP14 (0.32)
SCHEMBL17844145 0.76 HRH3 (0.38) SLC6A2ALDH1A1TP53TSHR
SCHEMBL17844240 0.76 CHRM4 (0.39)
SCHEMBL17844175 0.75 CA12 (0.38) CYP2C9ALDH1A1
SCHEMBL17844162 0.74 HRH3 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. 2019-05-02 US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
WO-2018222975-A1 METHODS FOR THE TREATMENT OF CANCER RGENIX, INC. (US) 2018-12-06 WO disclosed
EP-3402477-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS The Rockefeller University (US) 2018-11-21 EP disclosed
WO-2017123568-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO 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 (4 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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 BRD4 1375/4885ATAD2 2495/4885HTR6 4759/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 BRD4 1375/4885ATAD2 2495/4885HTR6 4759/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 BRD4 1375/4885ATAD2 2495/4885HTR6 4759/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 BRD4 905/4885ATAD2 1891/4885HTR6 1142/4885

“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.