SCHEMBL723608

SCHEMBL723608

CCCCCc1csc(N(N)CCCCC)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
KCNH2 Q12809 2/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
TLR8 Q9NR97 2/20 0.31

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
SCHEMBL15080504 0.75 MEN1 (0.50) ADRB2ADRB1ADRB3KCNH2MEN1
SCHEMBL12800176 0.73 ADRB2 (0.39) ADRB2ADRB1ADRB3KCNH2MEN1
SCHEMBL44477 0.73 NOS1 (0.51) KCNH2NOS2NOS1
SCHEMBL10603769 0.73 KCNH2 (0.46) ADRB2ADRB1ADRB3KCNH2NOS2
SCHEMBL14643881 0.71 NOS1 (0.50) KCNH2NOS1
SCHEMBL3828155 0.71 NOS1 (0.50) KCNH2NOS1
SCHEMBL11588307 0.71 NOS1 (0.50) KCNH2NOS1
SCHEMBL9729165 0.71 NOS1 (0.50) KCNH2NOS1
Ammonia Solution, Strong SCHEMBL28007740 0.71 NOS1 (0.50) KCNH2NOS1
SCHEMBL13947093 0.71 MEN1 (0.53) ADRB2ADRB1ADRB3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004279-A1 Use of C-Kit Inhibitors for Treating Plasmodium Related Diseases AB SCIENCE (FR) 2008-01-03 US claimed
US-20070249628-A1 Use of Mast Cells Inhibitors for Treating Patients Exposed to Chemical or Biological Weapons MOUSSY ALAIN 2007-10-25 US claimed
US-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis AB SCIENCE 2007-09-27 US claimed
US-20070191267-A1 Use of tyrosine kinase inhibitors for treating cerebral ischemia AB SCIENCE 2007-08-16 US claimed
EP-1758654-A1 USE OF C-KIT INHIBITORS FOR TREATING PLASMODIUM RELATED DISEASES AB Science (FR) 2007-03-07 EP claimed
EP-1755592-A1 USE OF C-KIT INHIBITORS FOR TREATING INFLAMMATORY MUSCLE DISORDERS INCLUDING MYOSITIS AND MUSCULAR DYSTROPHY AB Science (FR) 2007-02-28 EP claimed
US-20070032521-A1 Use of c-kit inhibitors for treating type II diabetes AB SCIENCE 2007-02-08 US claimed
EP-1746990-A1 USE OF MAST CELLS INHIBITORS FOR TREATING PATIENTS EXPOSED TO CHEMICAL OR BIOLOGICAL WEAPONS AB Science (FR) 2007-01-31 EP claimed
EP-1742633-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBROSIS AB Science (FR) 2007-01-17 EP claimed
EP-1653934-A2 USE OF C-KIT INHIBITORS FOR TREATING TYPE II DIABETES AB Science (FR) 2006-05-10 EP claimed
WO-2005115304-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBRODYSPLASIA AB SCIENCE (FR) 2005-12-08 WO claimed
WO-2005112920-A1 USE OF MAST CELLS INHIBITORS FOR TREATING PATIENTS EXPOSED TO CHEMICAL OR BIOLOGICAL WEAPONS AB SCIENCE (FR) 2005-12-01 WO claimed
WO-2005102455-A1 USE OF C-KIT INHIBITORS FOR TREATING PLASMODIUM RELATED DISEASES AB SCIENCE (FR) 2005-11-03 WO claimed
WO-2005102318-A1 USE OF C-KIT INHIBITORS FOR TREATING HIV RELATED DISEASES AB SCIENCE (FR) 2005-11-03 WO claimed
WO-2005102325-A1 USE OF C-KIT INHIBITORS FOR TREATING INFLAMMATORY MUSCLE DISORDERS INCLUDING MYOSITIS AND MUSCULAR DYSTROPHY AB SCIENCE (FR) 2005-11-03 WO claimed
WO-2005102326-A2 USE OF C-KIT INHIBITORS FOR TREATING RENAL DISEASES AB SCIENCE (FR) 2005-11-03 WO claimed
WO-2005102346-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBROSIS AB SCIENCE (FR) 2005-11-03 WO claimed
WO-2005016323-A2 USE OF C-KIT INHIBITORS FOR TREATING TYPE II DIABETES AB SCIENCE (FR) 2005-02-24 WO claimed
WO-2004098612-A2 CALCITRIOL ANALOGS OF USES THEREOF AB SCIENCE (FR) 2004-11-18 WO claimed
WO-2004096225-A2 USE OF TYROSINE KINASE INHIBITORS FOR TREATING CEREBRAL ISCHEMIA AB SCIENCE (FR) 2004-11-11 WO claimed

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-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis KIT, CPA3, CMA1 ADRB2 2444/4885ADRB1 1864/4885ADRB3 556/4885
US-20080004279-A1 Use of C-Kit Inhibitors for Treating Plasmodium Related Diseases KIT, JAK3, MAP3K3 ADRB2 4215/4885ADRB1 3857/4885ADRB3 1751/4885
US-20070249628-A1 Use of Mast Cells Inhibitors for Treating Patients Exposed to Chemical or Biological Weapons KIT, CPA3, CMA1 ADRB2 3174/4885ADRB1 2904/4885ADRB3 704/4885
US-20070032521-A1 Use of c-kit inhibitors for treating type II diabetes KIT, CPA3, CMA1 ADRB2 1235/4885ADRB1 1603/4885ADRB3 1446/4885
US-20070191267-A1 Use of tyrosine kinase inhibitors for treating cerebral ischemia KIT, MAST3, CPA3 ADRB2 2702/4885ADRB1 2806/4885ADRB3 667/4885

“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.