SCHEMBL4516101

SCHEMBL4516101

Cc1cc(Cl)ccc1C(=O)N(N)C(=S)S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.38
CYP11B2 P19099 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ABL1 P00519 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
HTT P42858 3/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL4470184 0.82 FLT1 (0.37) FLT1FLT4KDRKDM4ENPC1
SCHEMBL824683 0.75 HPGD (0.51) FLT1FLT4KDRKDM4EGAA
SCHEMBL9555496 0.75 FLT1 (0.50) FLT1FLT4KDRCYP11B2SMN1; SMN2
SCHEMBL8179279 0.75 NOX1 (0.46) FLT1FLT4KDRKDM4EGAA
SCHEMBL4516098 0.72 HTT (0.54) FLT1FLT4KDRKDM4EGAA
SCHEMBL18330324 0.71 FLT1 (0.50) FLT1FLT4KDRKDM4EGAA
SCHEMBL14800044 0.71 GAA (0.51) FLT1FLT4KDRKDM4EGAA
SCHEMBL2468739 0.71 KDM4E (0.55) FLT1FLT4KDRKDM4EGAA
SCHEMBL250256 0.70 FLT1 (0.53) FLT1FLT4KDRCYP11B2SMN1; SMN2
SCHEMBL18057574 0.70 RAB9A (0.45) FLT1FLT4KDRCYP11B2SMN1; SMN2

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 3 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
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 FLT1 2423/4885FLT4 2597/4885KDR 3079/4885

“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.