SCHEMBL4350463

SCHEMBL4350463

Nc1ccccc1-c1nnc(S)n1N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 4/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 1/20 0.39
KCNN4 O15554 1/20 0.39
HSD17B10 Q99714 2/20 0.38
IDO1 P14902 4/20 0.37
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
DCUN1D1 Q96GG9 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
SCHEMBL4349748 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL10012799 0.80 HSD11B1 (0.46) ALDH1A1NPC1SMN1; SMN2LMNARAB9A
SCHEMBL15326353 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL4345607 0.80 ALDH1A1 (0.76) ALDH1A1NPC1SMN1; SMN2LMNARAB9A
SCHEMBL8627702 0.80 ALDH1A1 (0.46) ALDH1A1NPC1SMN1; SMN2LMNARAB9A
SCHEMBL4944318 0.80 ALDH1A1 (0.46) ALDH1A1NPC1SMN1; SMN2LMNARAB9A
SCHEMBL4352521 0.76 ALDH1A1 (0.42) ALDH1A1NPC1SMN1; SMN2LMNARAB9A
SCHEMBL4489888 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL2889816 0.76 KDM4E (0.52) ALDH1A1NPC1SMN1; SMN2LMNARAB9A
SCHEMBL3352182 0.75 KMT2A (0.72) ALDH1A1L3MBTL1NPC1SMN1; SMN2LMNA

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 426/4885L3MBTL1 121/4885NPC1 3262/4885

“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.