SCHEMBL3147198

SCHEMBL3147198

O=S(=O)(Nc1cccc2ccn(CCN3CCCC3)c12)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.67
SLC6A9 P48067 2/20 0.47
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTR7 P34969 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC16A3 O15427 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 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
SCHEMBL3143661 0.81 HTR6 (0.75) HTR6HTR7
SCHEMBL3144528 0.81 HTR6 (0.69) HTR6KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3142917 0.80 HTR6 (0.85) HTR6SLC6A9
SCHEMBL4037350 0.80 HTR6 (1.00) HTR6SLC6A9
SCHEMBL3047267 0.79 HTR6 (0.51) HTR6ALDH1A1KMT2ASLC16A3HTT
SCHEMBL13139527 0.74 HTR6 (0.48) HTR6KDM4ESLC16A3
SCHEMBL3153226 0.74 HTR6 (0.74) HTR6SLC6A9HTR7
SCHEMBL3145126 0.73 HTR6 (0.70) HTR6HTR7
SCHEMBL3261001 0.73 HTR6 (0.67) HTR6
Hydrochloric Acid SCHEMBL11101542 0.73 ALOX15 (0.64) HTR6SLC6A9KDM4EHSD17B10ALDH1A1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648444-B1 INDOL-7 SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP claimed
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP claimed
WO-2009013010-A2 5HT6-LIGANDS SUCH AS SULFONAMIDE DERIVATIVES IN DRUG- INDUCED WEIGHT-GAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-29 WO claimed
EP-2018861-A1 5HT6-Ligands such as sulfonamide derivatives in drug-induced weight-gain Laboratorios del Dr. Esteve S.A. (ES) 2009-01-28 EP claimed
US-20070185207-A1 Indol-7 sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators LABORATORIOS DEL DR ESTEVE S.A (ES) 2007-08-09 US claimed
JP-2007500167-A 2007-01-11 JP claimed
CN-1832739-A Indol-7 sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators ESTEVE LABOR DR (ES) 2006-09-13 CN claimed
EP-1648444-A1 INDOL-7 SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
WO-2005013979-A1 INDOL-7 SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO claimed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US disclosed
CN-101563106-A Combination of nmda- receptor ligand and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-10-21 CN disclosed
EP-1648444-A1 INDOL-7 SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
EP-1648468-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014000-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005014045-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO disclosed
WO-2005013979-A1 INDOL-7 SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US 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 (6 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-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS HTR6 2666/4885SLC6A9 4478/4885KDM4E 2452/4885
US-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 HTR6 1/4885SLC6A9 622/4885KDM4E 1129/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885SLC6A9 1621/4885KDM4E 2051/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR6 1/4885SLC6A9 1571/4885KDM4E 3598/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885SLC6A9 886/4885KDM4E 2859/4885
US-20070185207-A1 Indol-7 sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators HTR6, HTR7, TPH1 HTR6 1/4885SLC6A9 473/4885KDM4E 3173/4885

“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.