SCHEMBL950533

SCHEMBL950533

COc1ccc2c(c1)c(C=O)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.63
HTR7 P34969 3/20 0.60
DRD2 P14416 3/20 0.60
HTR1A P08908 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR1E P28566 1/20 0.60
HTR1F P30939 1/20 0.60
DRD3 P35462 1/20 0.60
KDM4E B2RXH2 1/20 0.57
UBE2N P61088 1/20 0.57
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTR2A P28223 3/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53

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
SCHEMBL3035871 0.92 HTR6 (0.59) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL4776849 0.90 KDM4E (0.64) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL4778899 0.88 HTR6 (0.59) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL4778240 0.88 HTR6 (0.59) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL4778239 0.86 HTR6 (0.60) HTR6HTR1AKDM4EUBE2NHTR2A
SCHEMBL30542060 0.85 KDM4E (0.76) HTR6KDM4EUBE2NPOLBL3MBTL1
SCHEMBL945661 0.85 KDM4E (0.76) HTR6KDM4EUBE2NPOLBL3MBTL1
SCHEMBL4772681 0.83 HTR6 (0.60) HTR6HTR7DRD2KDM4EUBE2N
SCHEMBL2886894 0.83 HTR6 (0.63) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL17927576 0.83 HTR6 (0.67) HTR6HTR7DRD2HTR1AHTR1D

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035429-B1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON INC (US) 2012-09-19 EP disclosed
EP-2035429-B1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON INC (US) 2012-09-19 EP disclosed
US-7875605-B2 1-Benzenesulfonyl-3-(4-methylpiperazin-1-ylmethyl)-5-nitro-1 H-indole; 1-[[5-Bromo-1-(2-Bromo-4-methoxybenzenesulfonyl)-indo1-3-yl]methyl][1,4]diazepane; useful for treating psychotic and neurodegenerative disorders e.g. schizophrenia, Alzheimer's disease, Parkinson's disease and Huntington's chorea SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-25 US disclosed
US-7732447-B2 such as 4-Pyridin-3-yl-2,5-dihydro-pyridazino[4,5-b]indol-1-one, used as inhibitors of vascular endothelial growth factor receptor (VEGFR) kinase, mixed lineage kinase (MLK) or cyclin-dependent kinase (CDK); treatment of angiogenic disorders and neurodegenerative diseases CEPHALON, INC. (US) 2010-06-08 US disclosed
US-7732447-B2 such as 4-Pyridin-3-yl-2,5-dihydro-pyridazino[4,5-b]indol-1-one, used as inhibitors of vascular endothelial growth factor receptor (VEGFR) kinase, mixed lineage kinase (MLK) or cyclin-dependent kinase (CDK); treatment of angiogenic disorders and neurodegenerative diseases CEPHALON, INC. (US) 2010-06-08 US disclosed
US-7732447-B2 such as 4-Pyridin-3-yl-2,5-dihydro-pyridazino[4,5-b]indol-1-one, used as inhibitors of vascular endothelial growth factor receptor (VEGFR) kinase, mixed lineage kinase (MLK) or cyclin-dependent kinase (CDK); treatment of angiogenic disorders and neurodegenerative diseases CEPHALON, INC. (US) 2010-06-08 US disclosed
EP-2035429-A1 FUSED [d]PYRIDAZIN-7-ONES Cephalon, Inc. (US) 2009-03-18 EP disclosed
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed
US-20070299061-A1 Fused [d]pyridazin-7-ones CEPHALON, INC. (US) 2007-12-27 US disclosed
US-20070299061-A1 Fused [d]pyridazin-7-ones CEPHALON, INC. (US) 2007-12-27 US disclosed
US-20070299061-A1 Fused [d]pyridazin-7-ones CEPHALON, INC. (US) 2007-12-27 US disclosed
WO-2007149557-A1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON, INC. (US) 2007-12-27 WO disclosed
WO-2007149557-A1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON, INC. (US) 2007-12-27 WO disclosed
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2006-10-05 US disclosed
EP-1581492-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Suven Life Sciences Limited (IN) 2005-10-05 EP disclosed
WO-2004048330-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 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 (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-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C HTR6 12/4885HTR7 10/4885DRD2 89/4885
US-20070299061-A1 Fused [d]pyridazin-7-ones CDK5, CDK5R1, CDK7 HTR6 1506/4885HTR7 570/4885DRD2 977/4885

“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.