SCHEMBL4344836

SCHEMBL4344836

COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccc4[nH]c(=O)oc4c3)n2N)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 5/20 0.46
▸ GAA P10253 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ CREBBP Q92793 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALPG P10696 5/20 0.43
▸ CDC25A P30304 2/20 0.43
▸ CDC25B P30305 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALPL P05186 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4348643 0.88 MAPT (0.55) ALDH1A1SMN1; SMN2TSHRGAAHSD17B10
SCHEMBL4345377 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRGAAHSD17B10
SCHEMBL6192061 0.72 MAPT (0.56) ALDH1A1SMN1; SMN2HSD17B10MAPTALPG
SCHEMBL14318638 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRMAPTCREBBP
SCHEMBL27173136 0.70 TUBB4A (0.73) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL17261317 0.66 CREBBP (0.66) ALDH1A1SMN1; SMN2GAAMAPTCREBBP
SCHEMBL16675456 0.66 ALDH1A1 (0.73) ALDH1A1TSHRGAAHSD17B10MAPT
SCHEMBL16675471 0.66 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2TSHRGAAHSD17B10
SCHEMBL2583451 0.66 KDM4E (0.73) ALDH1A1TSHRCREBBPKDM4E
SCHEMBL9472025 0.66 KDM4E (0.73) ALDH1A1CREBBPKDM4E

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 426/4885SMN1; SMN2 3613/4885TSHR 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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