SCHEMBL4351022

SCHEMBL4351022

COc1ccc(OC)c(-c2nnc(S)n2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.47
KMT2A Q03164 10/20 0.47
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL4346620 0.88 ALDH1A1 (0.56) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL4483317 0.87 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4482344 0.84 LRRK2 (0.38) KDM4EPDE10A
SCHEMBL4520093 0.84 ALDH1A1 (0.45) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL25413578 0.84 ALDH1A1 (0.36) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL16675462 0.81 AMY1A (0.41) ALDH1A1KDM4EPDE10A
SCHEMBL2889816 0.80 KDM4E (0.52) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4486268 0.78 ACHE (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL13828022 0.76 MAPT (0.52) TDP1ALDH1A1HPGDMAPTTSHR
SCHEMBL4341622 0.76 MAPT (0.54) KMT2AALDH1A1KDM4EHPGDMAPT

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 MEN1 3491/4885KMT2A 2333/4885TDP1 1407/4885

“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.