SCHEMBL10040106

SCHEMBL10040106

Nc1cc(-c2cccnc2)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.67
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
AURKA O14965 1/20 0.46
TTK P33981 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 2/20 0.45
CYP17A1 P05093 1/20 0.45
PKM P14618 2/20 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
SCHEMBL10040156 0.85 HTR6 (0.61) HTR6CA12CA1CA2CA9
SCHEMBL5624294 0.82 CA2 (0.59) HTR6CA12CA1CA2CA9
SCHEMBL10040087 0.80 HTR6 (1.00) HTR6CA12CA1CA2CA9
SCHEMBL10040109 0.79 HTR6 (0.61) HTR6CA12CA1CA2CA9
SCHEMBL29914888 0.79 HTR6 (0.61) HTR6CA12CA1CA2CA9
SCHEMBL10040108 0.78 HTR6 (0.74) HTR6CA12CA1CA2CA9
SCHEMBL15346095 0.77 GAA (0.54) HTR6CA12CA1CA2CA9
SCHEMBL18194403 0.73 CA2 (0.73) HTR6CA12CA1CA2CA9
SCHEMBL77876 0.73 MKNK1 (0.63) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL30516501 0.73 MKNK1 (0.63) MEN1PSIP1AXLMKNK1MKNK2

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 6 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
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 1/4885CA12 4785/4885CA1 3759/4885

“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.