SCHEMBL4345873

SCHEMBL4345873

Cc1cc(Cl)ccc1-c1nnc(S)n1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.44
NOTUM Q6P988 2/20 0.43
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 1/20 0.35
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
GRM2 Q14416 1/20 0.35
MAPK1 P28482 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29372154 0.85 HSD11B1 (0.57) HSD11B1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL10011853 0.85 HSD11B1 (0.57) HSD11B1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL22599822 0.83 HSD11B1 (0.46) HSD11B1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL4346424 0.82 HSD11B1 (0.45) HSD11B1NOTUMALDH1A1LMNASMN1; SMN2
SCHEMBL4348022 0.82 HSP90AA1 (0.47) HSD11B1ALDH1A1PDE2APDE10ACRHR1
SCHEMBL4487389 0.81 MAPK14 (0.37) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL25412393 0.79 LMNA (0.38) HSD11B1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL4520093 0.79 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2HPGDUSP2
SCHEMBL4349748 0.76 ALDH1A1 (0.47) HSD11B1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL4349728 0.74 KMT2A (0.45) HSD11B1ALDH1A1LMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009094205-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) 2009-07-30 WO disclosed
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
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
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 HSD11B1 1190/4885NOTUM 4773/4885ALDH1A1 426/4885

“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.