SCHEMBL3487587

SCHEMBL3487587

CCCCN1C(=O)C(Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
KDM1A O60341 1/20 0.45
DRD2 P14416 6/20 0.43
DRD4 P21917 5/20 0.43
DRD5 P21918 2/20 0.43
DRD3 P35462 2/20 0.43
POLB P06746 1/20 0.43
HTR1A P08908 4/20 0.42
HTR2A P28223 4/20 0.42
HTR7 P34969 4/20 0.42
HTR6 P50406 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5613981 0.93 POLB (0.47) NR1H2NR1H3DRD2POLBHTR1A
SCHEMBL3487580 0.86 NR1H2 (0.54) NR1H2NR1H3KDM1ADRD2DRD4
SCHEMBL5607277 0.83 CHRM4 (0.43) NR1H2NR1H3POLBL3MBTL1MAPT
SCHEMBL5606492 0.79 NR1H2 (0.45) NR1H2NR1H3DRD2DRD4DRD5
SCHEMBL3488251 0.79 CA12 (0.44) NR1H2NR1H3GAAMAPT
SCHEMBL3487302 0.78 NR1H2 (0.43) NR1H2NR1H3DRD2DRD4DRD5
SCHEMBL5607249 0.77 NR1H2 (0.43) NR1H2NR1H3DRD2HTR1AHTR2A
SCHEMBL3488399 0.77 NR1H2 (0.55) NR1H2NR1H3DRD2POLBHTR1A
SCHEMBL2000112 0.76 ALDH1A1 (0.42) NR1H2NR1H3DRD2DRD4DRD5
SCHEMBL3487718 0.76 NR1H2 (0.58) NR1H2NR1H3KDM1APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 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 (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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885KDM1A 3785/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885KDM1A 3854/4885

“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.