SCHEMBL855350

SCHEMBL855350

COc1ccc([N+](=O)[O-])cc1N1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 6/20 0.61
LMNA P02545 5/20 0.61
SLC6A5 Q9Y345 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 1/20 0.46
SUV39H2 Q9H5I1 1/20 0.45

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
SCHEMBL1612901 0.96 LMNA (0.67) MAPTALDH1A1LMNASLC6A5SMN1; SMN2
SCHEMBL29803356 0.87 ALDH1A1 (0.67) MAPTALDH1A1LMNASLC6A5SMN1; SMN2
SCHEMBL6808636 0.87 ALDH1A1 (0.67) MAPTALDH1A1LMNASLC6A5SMN1; SMN2
SCHEMBL7985113 0.85 ALDH1A1 (0.64) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL30962706 0.85 ALDH1A1 (0.64) MAPTALDH1A1LMNASLC6A5SMN1; SMN2
SCHEMBL7980470 0.85 ALDH1A1 (0.64) MAPTALDH1A1LMNASLC6A5SMN1; SMN2
SCHEMBL31639893 0.84 ALDH1A1 (0.63) MAPTALDH1A1LMNASLC6A5MAPK1
SCHEMBL1611598 0.84 LMNA (0.63) MAPTALDH1A1LMNASLC6A5SMN1; SMN2
SCHEMBL6495866 0.84 ALDH1A1 (0.63) MAPTALDH1A1LMNASLC6A5MAPK1
SCHEMBL3258234 0.82 MAPT (0.65) MAPTALDH1A1LMNASLC6A5SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362010-B2 Benzenesulfonanilide compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-01-29 US disclosed
EP-2432770-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2012-03-28 EP disclosed
US-20100292220-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-11-18 US disclosed
WO-2010125136-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-11-04 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-20100292220-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR1D, HTR4 MAPT 4695/4885ALDH1A1 1551/4885LMNA 3738/4885

“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.