SCHEMBL10040156

SCHEMBL10040156

Nc1cc(-c2ccccc2)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.61
GAA P10253 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA1 P00915 2/20 0.46

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
SCHEMBL15346095 0.91 GAA (0.54) HTR6GAAKDM4EALDH1A1HPGD
SCHEMBL10040106 0.85 HTR6 (0.67) HTR6GAAKDM4EALDH1A1HPGD
SCHEMBL1162839 0.81 HTR6 (0.66) HTR6GAAKDM4EALDH1A1HPGD
SCHEMBL29480329 0.81 HTR6 (0.66) HTR6GAAKDM4EALDH1A1HPGD
SCHEMBL17774701 0.81 HTR6 (0.69) HTR6GAAKDM4EALDH1A1HPGD
SCHEMBL27932762 0.80 MAPT (0.48) HTR6GAAKDM4EALDH1A1HPGD
SCHEMBL21300501 0.79 GAA (0.64) HTR6GAAKDM4EALDH1A1HPGD
SCHEMBL9818530 0.79 HTR6 (0.61) HTR6GAAKDM4EALDH1A1HPGD
SCHEMBL5258855 0.79 HTR6 (0.61) HTR6GAAKDM4EALDH1A1HPGD
SCHEMBL9818432 0.79 HTR6 (0.61) HTR6GAAKDM4EALDH1A1HPGD

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
EP-3072882-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2016-09-28 EP disclosed
US-8829002-B2 Substituted methyl amines, serotonin 5-HT6 receptor antagonists, methods for production and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2014-09-09 US disclosed
US-8829002-B2 Substituted methyl amines, serotonin 5-HT6 receptor antagonists, methods for production and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2014-09-09 US disclosed
EP-2657225-A2 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (RU) 2013-10-30 EP disclosed
US-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2013-10-10 US disclosed
US-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2013-10-10 US disclosed
WO-2012087182-A2 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ, ЛЛС (US) 2012-06-28 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-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF HTR6, HTR1F, HTR1A HTR6 1/4885GAA 4856/4885KDM4E 1393/4885

“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.