SCHEMBL6587236

SCHEMBL6587236

O=[N+]([O-])c1cccc2c(S(=O)(=O)Cl)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
DNA2 P51530 1/20 0.51
CASP6 P55212 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 3/20 0.45
CLK1 P49759 2/20 0.45
DYRK1A Q13627 1/20 0.45
GSK3B P49841 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MET P08581 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 2/20 0.39
THRB P10828 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
SCHEMBL30275708 0.78 DNA2 (0.56) PARP1DNA2CASP6CTDSP1TDP1
SCHEMBL1017079 0.78 DNA2 (0.56) PARP1DNA2CASP6CTDSP1TDP1
SCHEMBL31025675 0.76 DNA2 (0.43) PARP1DNA2CASP6CTDSP1TDP1
SCHEMBL14168306 0.76 CLK1 (0.43) TDP1CLK1MAPTNPC1L3MBTL1
SCHEMBL9798204 0.76 TDP1 (0.64) PARP1TDP1ALDH1A1KMT2AMEN1
SCHEMBL26980813 0.76 DYRK1A (0.49) DYRK1A
SCHEMBL17850535 0.74 TRIM24 (0.51) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL20355028 0.74 DYRK1A (0.47) PARP1CLK1DYRK1AGSK3BCDK5
SCHEMBL29236598 0.74 DNA2 (0.56) PARP1DNA2CASP6CTDSP1TDP1
SCHEMBL28312938 0.74 MAPT (0.57) PARP1DNA2CASP6CTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024153233-A1 COMPOUNDS AND THEIR USES AS GPR17 ANTAGONISTS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2024-07-25 WO disclosed
US-7390825-B1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-24 US disclosed
US-7390825-B1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-24 US disclosed
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 US disclosed
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
US-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders SMITHKLINE BEECHAM PLC (GB) 2004-12-02 US disclosed
EP-1414442-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 EP disclosed
WO-2003013510-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-02-20 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 (3 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-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof OXA1L, OTC, ODC1 PARP1 3101/4885DNA2 2614/4885CASP6 768/4885
US-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders HTR6, HTR7, HTR1A PARP1 2891/4885DNA2 3749/4885CASP6 522/4885
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF OXA1L, OGFOD1, CYP51A1 PARP1 2945/4885DNA2 2104/4885CASP6 1093/4885

“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.