SCHEMBL6946497

SCHEMBL6946497

CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.85
DRD2 P14416 9/20 0.85
HRH1 P35367 9/20 0.85
HTR1A P08908 8/20 0.85
SLC6A2 P23975 8/20 0.85
ADRA1A P35348 8/20 0.85
SLC6A3 Q01959 8/20 0.85
KCNH2 Q12809 8/20 0.85
ADRA2A P08913 7/20 0.85
ADRA2B P18089 7/20 0.85
ADRA2C P18825 7/20 0.85
HTR2A P28223 7/20 0.85
SLC6A4 P31645 7/20 0.85
DRD1 P21728 6/20 0.85
CHRM1 P11229 6/20 0.85
HTR2C P28335 6/20 0.85
CHRM2 P08172 5/20 0.85
CHRM3 P20309 5/20 0.85
OPRM1 P35372 4/20 0.85
HRH3 Q9Y5N1 3/20 0.85

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
Thioproperazine SCHEMBL29372322 0.92 DRD3 (1.00) DRD3DRD2HRH1HTR1ASLC6A2
Thioproperazine SCHEMBL29394708 0.92 DRD3 (1.00) DRD3DRD2HRH1HTR1ASLC6A2
Thioproperazine SCHEMBL49902 0.92 DRD3 (1.00) DRD3DRD2HRH1HTR1ASLC6A2
Thioproperazine SCHEMBL28086631 0.91 DRD3 (0.79) DRD3DRD2HRH1HTR1ASLC6A2
Thioproperazine SCHEMBL3027811 0.90 CYP3A4 (1.00) DRD3DRD2HRH1HTR1ASLC6A2
Thioproperazine SCHEMBL2386850 0.90 CYP3A4 (1.00) DRD3DRD2HRH1HTR1ASLC6A2
Thioproperazine SCHEMBL29888916 0.90 CYP3A4 (1.00) DRD3DRD2HRH1HTR1ASLC6A2
SCHEMBL10136896 0.90 DRD2 (0.85) DRD3DRD2HRH1HTR1ASLC6A2
SCHEMBL10136838 0.90 DRD3 (0.85) DRD3DRD2HRH1HTR1ASLC6A2
SCHEMBL10136877 0.90 DRD3 (0.85) DRD3DRD2HRH1HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 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 (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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS DRD3 4854/4885DRD2 4871/4885HRH1 2998/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 DRD3 3148/4885DRD2 3169/4885HRH1 2332/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 DRD3 4038/4885DRD2 3577/4885HRH1 2342/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 DRD3 3148/4885DRD2 3169/4885HRH1 2332/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS DRD3 4854/4885DRD2 4871/4885HRH1 2998/4885

“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.