SCHEMBL4603703

SCHEMBL4603703

CC(NC=O)c1csc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
CYP2A6 P11509 3/20 0.46
PKM P14618 2/20 0.41
MAPT P10636 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HTT P42858 1/20 0.38
CMA1 P23946 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL178494 0.80 ALOX5 (0.49) ALOX5CYP2A6PKMMAPTHDAC3
SCHEMBL5690322 0.76 PKM (0.54) ALOX5CYP2A6PKMMAPTHDAC3
SCHEMBL24406257 0.75 ALOX5 (0.55) ALOX5CYP2A6PKMMAPTHDAC3
SCHEMBL4285747 0.75 CA2 (0.51) ALOX5CYP2A6PKMMAPTHDAC3
SCHEMBL717441 0.75 ALOX5 (0.54) ALOX5CYP2A6PKMMAPTHDAC3
SCHEMBL8763408 0.74 HTT (0.53) HTTSLC6A4MEN1KMT2ATAAR1
SCHEMBL13920405 0.74 ALOX5 (0.42) ALOX5CYP2A6PKMMAPTCMA1
SCHEMBL1095514 0.72 ALOX5 (0.55) ALOX5CYP2A6PKMMAPTHDAC3
SCHEMBL141272 0.72 ALOX5 (0.55) ALOX5CYP2A6PKMMAPTHDAC3
SCHEMBL2977121 0.72 ALOX5 (0.51) ALOX5CYP2A6PKMMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101090896-B Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents JANSSEN PHARMACEUTICA NV 2011-10-26 CN disclosed
EP-1794143-B1 NOVEL BENZO-FUSED HETEROARYL SULFAMIDE DERIVATIVES USEFUL AS ANTICONVULSANT AGENTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP disclosed
US-20070293476-A1 CO-THERAPY FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS SMITH-SWINTOSKY VIRGINIA L 2007-12-20 US disclosed
CN-101090896-A Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents JANSSEN PHARMACEUTICA NV (BE) 2007-12-19 CN disclosed
US-20070191459-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for Lowering Lipids and Lowering Blood Glucose Levels JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 US disclosed
US-20070191453-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US disclosed
US-20070191451-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US disclosed
US-20070191452-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US disclosed
US-20070191449-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Depression JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 US disclosed
US-20070191460-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Disease Modification / Epileptogenesis SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US disclosed
US-20070191461-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US disclosed
US-20070191450-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Mania and Bipolar Disorder SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US disclosed
US-20060276528-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents ABDEL-MAGID AHMED F 2006-12-07 US disclosed
US-20060047001-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents JANSSEN PHARMACAEUTICA N.V. (BE) 2006-03-02 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 (11 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-20060276528-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents GABRA5, SULT2A1, SYNGR2 ALOX5 593/4885CYP2A6 135/4885PKM 3973/4885
US-20070191461-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE SULT2A1, CNR2, FAAH2 ALOX5 286/4885CYP2A6 658/4885PKM 3226/4885
US-20070191449-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Depression TPH2, SULT2A1, SDHA ALOX5 734/4885CYP2A6 464/4885PKM 2223/4885
US-20070191451-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS NLN, CTSA, SMN1; SMN2 ALOX5 398/4885CYP2A6 2859/4885PKM 3734/4885
US-20060047001-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents GABRE, GABRB2, GABRA2 ALOX5 809/4885CYP2A6 223/4885PKM 4150/4885
US-20070191460-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Disease Modification / Epileptogenesis SULT2A1, GABRB2, GABRB1 ALOX5 220/4885CYP2A6 143/4885PKM 1975/4885
US-20070191459-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for Lowering Lipids and Lowering Blood Glucose Levels LIPC, GPR119, APOB ALOX5 343/4885CYP2A6 484/4885PKM 2499/4885
US-20070293476-A1 CO-THERAPY FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS GABBR1, SYNGR2, GABBR2 ALOX5 493/4885CYP2A6 272/4885PKM 2358/4885
US-20070191450-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Mania and Bipolar Disorder GABBR1, GABBR2, GABRB2 ALOX5 1233/4885CYP2A6 381/4885PKM 4223/4885
US-20070191452-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OPRL1, SULT2A1, OPRK1 ALOX5 164/4885CYP2A6 326/4885PKM 3013/4885
US-20070191453-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION SULT2A1, SULT1A1, STS ALOX5 805/4885CYP2A6 146/4885PKM 3641/4885

“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.