Sugi Predict

Sugi Predict / Compounds / SCHEMBL1814237

SCHEMBL1814237

SCHEMBL1814237

CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3cccc4ccccc34)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 6/20 0.41
▸ BRD4 O60885 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ CASR P41180 5/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ DRD2 P14416 1/20 0.38

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
SCHEMBL1811364 0.95 SIRT6 (0.41) SUV39H2BRD4SIRT6CKS1BSKP1
SCHEMBL12622483 0.88 SUV39H2 (0.42) SUV39H2PDE10ACASRSIRT6PIM1
SCHEMBL12655352 0.87 SUV39H2 (0.43) SUV39H2BRD4PDE10ACASRPIM1
SCHEMBL1814238 0.85 BRD4 (0.43) SUV39H2BRD4PDE10APIM1PIM3
SCHEMBL12622493 0.82 CKS1B (0.43) SUV39H2BRD4CKS1BSKP1SKP2
SCHEMBL7235706 0.78 HPGD (0.48) SUV39H2PIM1PIM3PIM2DRD2
SCHEMBL3723279 0.78 SIRT6 (0.41) SIRT6
SCHEMBL4253922 0.77 SUV39H2 (0.45) SUV39H2PIM1PIM3PIM2DRD2
SCHEMBL4253928 0.77 SUV39H2 (0.45) SUV39H2PIM1PIM3PIM2DRD2
SCHEMBL3384005 0.77 MAPT (0.48) SUV39H2SIRT6PIM1PIM3PIM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939520-B2 Aminoazacyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-05-10 — — US disclosed
US-7939520-B2 Aminoazacyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-05-10 — — US disclosed
EP-2158195-A1 5- (AMINOAZACYCLYL) -3-SULFONYL-LH- INDAZOLES AS 5-HYDROXYTRYPTAMINE- 6 LIGANDS FOR THE TREATMENT OF CNS DISORDERS Wyeth LLC (US) 2010-03-03 — — EP disclosed
US-20080293688-A1 AMINOAZACYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-27 — — US disclosed
WO-2008144299-A1 5- (AMINOAZACYCLYL) -3-SULFONYL-LH- INDAZOLES AS 5-HYDROXYTRYPTAMINE- 6 LIGANDS FOR THE TREATMENT OF CNS DISORDERS WYETH (US) 2008-11-27 — — WO disclosed
WO-2008144299-A1 5- (AMINOAZACYCLYL) -3-SULFONYL-LH- INDAZOLES AS 5-HYDROXYTRYPTAMINE- 6 LIGANDS FOR THE TREATMENT OF CNS DISORDERS WYETH (US) 2008-11-27 — — WO disclosed
US-20080293688-A1 AMINOAZACYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-27 — — US 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-20080293688-A1 AMINOAZACYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR3B, HTR5A SUV39H2 2916/4885BRD4 1543/4885PDE10A 1334/4885

“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.