SCHEMBL10040108

SCHEMBL10040108

O=CNc1cc(-c2cccnc2)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.74
RXFP1 Q9HBX9 1/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NAMPT P43490 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERN1 O75460 2/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL10040144 0.87 HTR6 (0.68) HTR6ACLY
SCHEMBL10040087 0.85 HTR6 (1.00) HTR6RXFP1CYP11B1CYP11B2CA12
SCHEMBL10040106 0.78 HTR6 (0.67) HTR6RXFP1CYP11B1CYP11B2CA12
SCHEMBL10040109 0.74 HTR6 (0.61) HTR6RXFP1CYP11B1CYP11B2CA12
SCHEMBL29914888 0.74 HTR6 (0.61) HTR6RXFP1CYP11B1CYP11B2CA12
SCHEMBL29228767 0.72 ERN1 (0.51) HTR6CYP11B1CYP11B2ERN1CYP17A1
SCHEMBL10040111 0.70 HTR6 (1.00) HTR6PKMACLY
SCHEMBL23969769 0.69 ERN1 (0.50) CYP11B1CYP11B2CA12CA1CA2
SCHEMBL18194403 0.69 CA2 (0.73) HTR6CYP11B2CA12CA1CA2
SCHEMBL18194404 0.68 CA2 (0.63) HTR6CYP11B1CYP11B2CA12CA1

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
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 1/4885RXFP1 256/4885CYP11B1 1078/4885

“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.