SCHEMBL4516098

SCHEMBL4516098

Cc1cc(Cl)ccc1C(=O)NNC(=S)S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.54
KDM4E B2RXH2 5/20 0.54
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
FLT1 P17948 2/20 0.52
FLT4 P35916 2/20 0.52
KDR P35968 2/20 0.52
LMNA P02545 4/20 0.49
KMT2A Q03164 3/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
CYP11B2 P19099 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NOX1 Q9Y5S8 1/20 0.45

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
SCHEMBL4470182 0.81 RAB9A (0.53) HTTKDM4EMAPTTDP1NPSR1
SCHEMBL8318320 0.78 FLT1 (0.59) KDM4EMAPTTDP1FLT1FLT4
SCHEMBL8179279 0.77 NOX1 (0.46) HTTKDM4EMAPTTDP1FLT1
SCHEMBL9555496 0.77 FLT1 (0.50) MAPTFLT1FLT4KDRKMT2A
SCHEMBL4349861 0.76 KDM4E (0.68) KDM4EMAPTTDP1FLT1FLT4
SCHEMBL24997807 0.73 FLT1 (0.55) HTTKDM4EFLT1FLT4KDR
SCHEMBL4597516 0.73 FLT1 (0.55) FLT1FLT4KDRKMT2AMEN1
SCHEMBL18330324 0.73 FLT1 (0.50) KDM4EMAPTFLT1FLT4KDR
SCHEMBL250256 0.73 FLT1 (0.53) MAPTFLT1FLT4KDRKMT2A
SCHEMBL4516101 0.72 FLT1 (0.40) HTTKDM4EMAPTTDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046336-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2009-04-15 EP disclosed
US-20080045514-A1 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-02-21 US disclosed
US-20080045514-A1 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-02-21 US disclosed
WO-2008011045-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-01-24 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-20080045514-A1 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP2 HTT 3128/4885KDM4E 1958/4885MAPT 4637/4885

“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.