SCHEMBL4085089

SCHEMBL4085089

O=C1NC(=S)SC1=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.77
PIM2 Q9P1W9 1/20 0.77
CISD1 Q9NZ45 4/20 0.71
NAT1 P18440 5/20 0.70
ADAMTS5 Q9UNA0 1/20 0.66
MYC P01106 3/20 0.66
MAX P61244 3/20 0.66
MAOA P21397 1/20 0.66
CA2 P00918 1/20 0.65
EPHX1 P07099 1/20 0.65
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
CSNK2A2 P19784 1/20 0.61
CLK1 P49759 1/20 0.61
CSNK2B P67870 1/20 0.61
CSNK2A1 P68400 1/20 0.61
DYRK1A Q13627 1/20 0.61
DYRK1B Q9Y463 1/20 0.61

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
SCHEMBL4085086 1.00 PIM1 (0.77) PIM1PIM2CISD1NAT1ADAMTS5
SCHEMBL15091393 1.00 PIM1 (0.77) PIM1PIM2CISD1NAT1ADAMTS5
SCHEMBL30250206 0.96 PIM1 (0.71) PIM1PIM2CISD1NAT1ADAMTS5
SCHEMBL2544398 0.87 PIM1 (1.00) PIM1PIM2CISD1MAOARAB9A
SCHEMBL2544050 0.87 PIM1 (1.00) PIM1PIM2CISD1MAOARAB9A
SCHEMBL2544047 0.87 PIM1 (1.00) PIM1PIM2CISD1MAOARAB9A
SCHEMBL4058938 0.86 PTPN1 (0.83) ADAMTS5MAOA
SCHEMBL4058937 0.86 PTPN1 (0.83) ADAMTS5MAOA
SCHEMBL14151863 0.85 ADAMTS5 (0.66) CISD1NAT1ADAMTS5MYCMAX
SCHEMBL14226359 0.85 ADAMTS5 (0.66) CISD1NAT1ADAMTS5MYCMAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648046-A1 CHARGE CONTROL AGENT AND TONER USING SAME Hodogaya Chemical Co., Ltd. (JP) 2013-10-09 EP disclosed
US-20130177844-A1 CHARGE CONTROL AGENT AND TONER USING SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2013-07-11 US disclosed
US-20090204336-A1 PDZ-Domain Modulators FORSCHUNGSVERBUND BERLIN E. V. (DE) 2009-08-13 US disclosed
EP-1893199-A2 PDZ-DOMAIN MODULATORS Forschungsverbund Berlin e.V. (DE) 2008-03-05 EP disclosed
WO-2006119736-A2 PDZ-DOMAIN MODULATORS COMBINATURE BIOPHARM AG (DE) 2006-11-16 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 (1 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-20090204336-A1 PDZ-Domain Modulators PDLIM5, DVL1, PSD PIM1 1210/4885PIM2 913/4885CISD1 880/4885

“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.