SCHEMBL4348305

SCHEMBL4348305

CCN(CC)c1ccc(C(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.58
▸ LMNA P02545 6/20 0.56
▸ GAA P10253 4/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ HTT P42858 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ TSHR P16473 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ ALPG P10696 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ RECQL P46063 2/20 0.56
▸ NSD2 O96028 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALDH1A1 P00352 8/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52

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
SCHEMBL4218138 0.76 TSHR (0.77) TP53LMNAGAAHSD17B10HTT
SCHEMBL6409340 0.68 ALDH1A1 (0.77) LMNAGAAHTTKDM4ETSHR
SCHEMBL5717661 0.68 TP53 (0.70) TP53LMNAGAAHTTTSHR
SCHEMBL29683780 0.67 ALPG (1.00) LMNAGAAHSD17B10HTTKDM4E
SCHEMBL13856524 0.67 ALPG (1.00) LMNAGAAHSD17B10HTTKDM4E
SCHEMBL5717657 0.67 ALDH1A1 (0.76) TP53LMNAHSD17B10HTTKDM4E
SCHEMBL4215585 0.67 ALDH1A1 (0.79) TP53LMNAGAAHSD17B10HTT
SCHEMBL4210901 0.67 ALDH1A1 (0.67) LMNAGAAHSD17B10HTTKDM4E
SCHEMBL3807278 0.66 SSTR2 (0.50) LMNAGAAKDM4EPOLBALPG
SCHEMBL4203998 0.66 ALDH1A1 (0.67) LMNAGAAHSD17B10HTTTSHR

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 TP53 94/4885LMNA 1056/4885GAA 4330/4885

“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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