SCHEMBL4520093

SCHEMBL4520093

COc1ccc(Cl)cc1-c1nnc(S)n1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
AGPAT2 O15120 8/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 5/20 0.42
PPARG P37231 2/20 0.42
NCOA2 Q15596 2/20 0.42
NCOA1 Q15788 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRNP P04156 1/20 0.40

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
SCHEMBL4348022 0.89 HSP90AA1 (0.47) ALDH1A1KDM4E
SCHEMBL4483317 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4351022 0.84 MEN1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4482344 0.83 LRRK2 (0.38) KDM4E
SCHEMBL2889816 0.79 KDM4E (0.52) ALDH1A1KDM4EHPGDPPARGNCOA2
SCHEMBL4345873 0.79 HSD11B1 (0.44) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL25412393 0.78 LMNA (0.38) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL10011853 0.77 HSD11B1 (0.57) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL29372154 0.77 HSD11B1 (0.57) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL25413687 0.77 MAPT (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA

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 ALDH1A1 426/4885KDM4E 1958/4885AGPAT2 3570/4885

“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.