SCHEMBL945912

SCHEMBL945912

Cc1ccc(S(=O)(=O)n2cc(C=O)c3cc(Br)ccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
UBE2N P61088 1/20 0.67
HTR6 P50406 12/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KLK7 P49862 1/20 0.46
CA2 P00918 2/20 0.43
CA9 Q16790 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43
CA1 P00915 1/20 0.42
ALK Q9UM73 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL946321 0.93 KDM4E (0.57) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL18080756 0.90 KDM4E (0.67) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL948577 0.88 HTR6 (0.58) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL947412 0.88 KDM4E (0.58) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL4776299 0.88 HTR6 (0.62) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL4778090 0.88 KDM4E (0.52) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL23589255 0.85 HTR6 (0.55) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL31571431 0.85 HTR6 (0.55) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL946840 0.84 KDM4E (0.67) KDM4EUBE2NHTR6L3MBTL1KLK7
SCHEMBL2134631 0.84 KDM4E (0.67) KDM4EUBE2NHTR6CYP3A4CYP2D6

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
CN-110845474-B Target I-type PRMT compound and preparation method and application thereof 四川大学 2021-01-12 CN disclosed
CN-110845474-A Target I-type PRMT compound and preparation method and application thereof 四川大学 2020-02-28 CN 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
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-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
US-6500849-B1 ADMINISTERING ANTIINFLAMMATORY, ANTIPROLIFERATIVE, NOOTROPIC OR ANTIGROWTH AGENTS, SUCH AS 6-(1-DODECYNYL)-2-PYRIDINE-CARBOXALDEHYDE AND ENANTIOMORPHS TO MAMMALS; ALZHEIMERS DISEASE AVENTIS PHARMACEUTICALS INC. 2002-12-31 US disclosed
US-5977147-A ANTITUMOR HOECHST MARION ROUSSEL (US) 1999-11-02 US disclosed
US-5614631-A ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS, NOOTROPIC AGENTS, BACTERICIDES, FUNGICIDES HOECHST MARION ROUSSEL, INC. (US) 1997-03-25 US disclosed
US-5571923-A 3-/1-DODECYL/-5-ISOXAZOLEMETHANOL INTERMEDIATE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-11-05 US disclosed
US-5565584-A CHEMICAL INTERMEDIATES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-10-15 US disclosed
US-5557006-A 1-Alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-17 US disclosed
US-5550247-A ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, COGNITION ACTIVATORS, BACTERICIDES, FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-08-27 US disclosed
US-5534640-A REDUCING INFLAMMATION AND CELL PROLIFERATION, COGNITION ACTIVATORS, BACTERIOSTATS, FUNGISTATS HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5534636-A ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENT, COGNITION ACTIVATORS,BACTERICIDES, AND FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5519062-A ANTIINFLAMMATORY HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-05-21 US disclosed
US-5488063-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
US-5488061-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
US-5360811-A 1-alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds as anti-inflammatory agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-11-01 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-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C KDM4E 3995/4885UBE2N 1597/4885HTR6 12/4885

“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.