SCHEMBL1538024

SCHEMBL1538024

CCCCCS(=O)(=O)n1ccc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.53
HTT P42858 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39

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
SCHEMBL10433225 0.83 HTR6 (0.58) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL6205803 0.77 HTR6 (0.62) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL6359369 0.76 HTR6 (0.58) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL6457643 0.74 HTR6 (0.57) HTR6KMT2AALDH1A1MAPT
SCHEMBL3994690 0.73 ASAH1 (0.47) HTR6HTTALDH1A1TSHRL3MBTL1
SCHEMBL3475552 0.73 HTT (0.50) HTR6HTTKMT2AALDH1A1LMNA
SCHEMBL15554467 0.72 KMT2A (0.57) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL29414068 0.72 KMT2A (0.57) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL4065276 0.72 HTR6 (0.61) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL29558089 0.72 HTR6 (0.61) HTR6HTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818639-B2 COMBINATION OF A 5-HT2C RECEPTOR AGONIST AND A 5-HT6 RECEPTOR ANTAGONIST, OR A SALT, ENANTIOMER OR PRODRUG FORM BIOVITRUM AB (SE) 2004-11-16 US claimed
EP-1301476-A1 NEW COMBINATION OF SEROTONIN AGONIST (5HT2) AND ANTAGONIST (5HT6)AS PHARMACEUTICAL FORMULATION BIOVITRUM AB (SE) 2003-04-16 EP claimed
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-06-06 US claimed
WO-2002008178-A1 NEW COMBINATION OF SEROTONIN AGONIST (5HT2) AND ANTAGONIST (5HT6)AS PHARMACEUTICAL FORMULATION BIOVITRUM AB (SE) 2002-01-31 WO claimed
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
EP-2298738-B1 1-aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2012-09-19 EP disclosed
EP-2298738-A1 1-aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands Wyeth LLC (US) 2011-03-23 EP disclosed
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US disclosed
EP-2121601-A2 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2009-11-25 EP disclosed
EP-2114878-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2009-11-11 EP disclosed
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-06-06 US disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 WO disclosed
WO-2002008178-A1 NEW COMBINATION OF SEROTONIN AGONIST (5HT2) AND ANTAGONIST (5HT6)AS PHARMACEUTICAL FORMULATION BIOVITRUM AB (SE) 2002-01-31 WO disclosed
US-5817651-A ANALGESICS, RHEUMATIC DISEASES, ANTIINFLAMMATORY AGENTS SANOFI (FR) 1998-10-06 US disclosed
US-5607933-A METHODS FOR TREATMENT OF GLAUCOMA AND FOR RELIEF OF PAIN AND RHEUMATIC AND INFLAMMATORY CONDITIONS BY ADMINISTERING THE INDOLES; N-HETERYL IS 2-PIPERAZINYL STERLING WINTHROP INC. (US) 1997-03-04 US disclosed
US-5324737-A Analgesics, antirheumatic and antiinflammatory agents, glaucoma STERLING WINTHROP INC. (US) 1994-06-28 US disclosed
US-5068234-A Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma STERLING DRUG INC. (US) 1991-11-26 US disclosed
EP-0444451-A2 3-Arylcarbonyl-1H-indoles useful as therapeutic agents STERLING WINTHROP INC. (US) 1991-09-04 EP 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 (2 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-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 HTR6 138/4885HTT 2147/4885MEN1 3120/4885
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination HTR6, HTR5A, HTR2C HTR6 1/4885HTT 429/4885MEN1 2551/4885

“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.