SCHEMBL4345377

SCHEMBL4345377

COc1ccc(-c2nnc(SCC(=O)c3ccc4[nH]c(=O)oc4c3)n2N)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.44
▸ MAPT P10636 5/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ TSHR P16473 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL4344836 0.86 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1TSHRSMN1; SMN2
SCHEMBL4348643 0.85 MAPT (0.55) ALDH1A1MAPTPOLBTSHRLMNA
SCHEMBL14318638 0.81 ALDH1A1 (0.43) ALDH1A1MAPTPOLBTSHRLMNA
SCHEMBL6192061 0.69 MAPT (0.56) ALDH1A1MAPTL3MBTL1POLBLMNA
SCHEMBL17261317 0.66 CREBBP (0.66) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL4348305 0.66 TP53 (0.58) ALDH1A1MAPTL3MBTL1POLBTSHR
SCHEMBL27173136 0.65 TUBB4A (0.73) ALDH1A1MAPTPOLBTSHRLMNA
Coixol SCHEMBL912220 0.65 NOS1 (0.61) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
Coixol SCHEMBL29389732 0.65 NOS1 (0.61) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL4346092 0.65 MEN1 (0.68) TSHRLMNAGAAHTTCREBBP

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 5 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
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

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 426/4885MAPT 4637/4885L3MBTL1 121/4885

“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.

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