SCHEMBL2945797

SCHEMBL2945797

O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 1.00
KCNA5 P22460 1/20 0.69
KCNH2 Q12809 1/20 0.69
ALDH1A1 P00352 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66

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
SCHEMBL30589551 1.00 CYP19A1 (1.00) CYP19A1KCNA5KCNH2ALDH1A1GAA
SCHEMBL13234493 0.92 CYP19A1 (0.85) CYP19A1KCNA5KCNH2MEN1KMT2A
SCHEMBL2943611 0.89 CYP19A1 (0.81) CYP19A1KCNA5KCNH2ALDH1A1MEN1
SCHEMBL2948668 0.89 CYP19A1 (0.81) CYP19A1KCNA5KCNH2MEN1KMT2A
SCHEMBL29963707 0.89 CYP19A1 (0.81) CYP19A1KCNA5KCNH2MEN1KMT2A
SCHEMBL2953798 0.89 CYP19A1 (0.81) CYP19A1KCNA5KCNH2MEN1KMT2A
SCHEMBL2949291 0.89 CYP19A1 (0.81) CYP19A1KCNA5KCNH2MAPTMEN1
SCHEMBL5231939 0.89 CYP19A1 (0.81) CYP19A1KCNA5KCNH2MEN1KMT2A
SCHEMBL734693 0.89 CYP19A1 (0.80) CYP19A1KCNA5KCNH2ALDH1A1GAA
SCHEMBL13234548 0.89 CYP19A1 (0.79) CYP19A1KCNA5KCNH2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 EP claimed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 EP claimed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO claimed
CN-114989065-A Preparation method of indole dimer compound 中南大学 2022-09-02 CN disclosed
CN-108997352-A It can be seen that the method for light-initiated asymmetric syntheses 3- nitrogen oxygroup pyrroles [2,3-b] Benzazole compounds 云南大学 2018-12-14 CN disclosed
CN-103980282-A Method for synthesizing 3-oxo-pyrrol[2,3-b]indole compounds KUNMING INST BOTANY CN ACAD 2014-08-13 CN disclosed
CN-101675032-B Aminoalkoxy aryl sulfonamide compounds and their use as 5-ht6 ligands SUVEN LIFE SCIENCES LTD 2012-10-31 CN disclosed
CN-101563321-B 4- (heterocyclyl) alkyl-N- (arylsulfonyl) indole compounds and their use as 5-HT6Use of ligands SUVEN LIFE SCIENCES LTD 2012-05-30 CN disclosed
CN-101553467-B 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LTD. (IN) 2011-12-07 CN disclosed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
CN-101563321-A 4- (heterocyclyl) alkyl-N- (arylsulfonyl) indole compounds and their use as 5-HT6Use of ligands SUVEN LIFE SCIENCES LTD (IN) 2009-10-21 CN disclosed
CN-101553467-A 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LTD (IN) 2009-10-07 CN disclosed
US-20060063823-A1 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 EP disclosed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 EP disclosed
US-5580878-A TREATING SLEEP DISORDERS INTERNEURON PHARMACEUTICALS, INC. (US) 1996-12-03 US disclosed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO disclosed
US-5403851-A Central nervous system and psychological disorders INTERNEURON PHARMACEUTICALS, INC. (US) 1995-04-04 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 (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-20060063823-A1 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer PTGIS, MMP15, IL15 CYP19A1 408/4885KCNA5 1389/4885KCNH2 2410/4885

“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.