SCHEMBL4284491

SCHEMBL4284491

CN1CCN(c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3cccc4ccccc34)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.55
HTR6 P50406 10/20 0.50
HTR7 P34969 2/20 0.50
DRD2 P14416 1/20 0.50
HTR2B P41595 1/20 0.50
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
DRD3 P35462 1/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4278946 0.83 HTR6 (0.56) HTR6HTR7DRD2HTR2BHTR1A
SCHEMBL4288833 0.81 MAPT (0.44) SIRT6HTR2BHTR1AHTR2AHTR2C
SCHEMBL3723277 0.81 SIRT6 (0.41) SIRT6HTR6HTR2BHTR2AHTR2C
SCHEMBL3723279 0.81 SIRT6 (0.41) SIRT6HTR6HTR2BHTR2AHTR2C
SCHEMBL1811364 0.79 SIRT6 (0.41) SIRT6DRD2MAPTALDH1A1
SCHEMBL5011395 0.78 HTR6 (0.41) SIRT6HTR6HTR7DRD2HTR2B
SCHEMBL14402178 0.78 HTR6 (0.41) SIRT6HTR6HTR7DRD2HTR2B
SCHEMBL3534757 0.78 ALDH1A1 (0.43) MAPTMAPK1ALDH1A1
SCHEMBL1814309 0.78 ALDH1A1 (0.43) MAPTMAPK1ALDH1A1
SCHEMBL4635823 0.77 ALDH1A1 (0.54) L3MBTL1ALDH1A1

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
US-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-24 US disclosed
US-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-24 US disclosed
US-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-24 US disclosed
WO-2009155399-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-23 WO disclosed
WO-2009155399-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-23 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-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, TPH1, HTR2C SIRT6 538/4885HTR6 1/4885HTR7 12/4885

“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.