SCHEMBL4348643

SCHEMBL4348643

COc1ccc(-c2nnc(SCC(=O)c3ccc4[nH]c(=O)oc4c3)n2N)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.55
▸ POLB P06746 3/20 0.55
▸ TSHR P16473 4/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43

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 0.88 ALDH1A1 (0.46) MAPTTSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4345377 0.85 ALDH1A1 (0.44) MAPTPOLBTSHRHTTALDH1A1
SCHEMBL27173136 0.72 TUBB4A (0.73) MAPTPOLBTSHRCYP1A2CYP3A4
SCHEMBL4211692 0.71 KMT2A (0.66) MAPTPOLBTSHRCYP1A2CYP3A4
SCHEMBL6192061 0.71 MAPT (0.56) MAPTPOLBHTTALDH1A1SMN1; SMN2
SCHEMBL14318638 0.69 ALDH1A1 (0.43) MAPTPOLBTSHRHTTALDH1A1
SCHEMBL29598047 0.67 ALPG (0.73) MAPTTSHRHTTALDH1A1SMN1; SMN2
SCHEMBL16681840 0.66 LMNA (0.63) MAPTPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL4348176 0.65 PDE4A (0.63) MAPTTSHRHTTALDH1A1SMN1; SMN2
SCHEMBL14606120 0.65 HSD11B1 (0.66) MAPTPOLBTSHRALDH1A1SMN1; SMN2

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 MAPT 4637/4885POLB 3335/4885TSHR 849/4885

“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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