SCHEMBL4604201

SCHEMBL4604201

O=Cc1csc2cccc(C(F)(F)F)c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.47
ERN1 O75460 6/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
NFKB1 P19838 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SLC9A1 P19634 1/20 0.32
MPL P40238 1/20 0.32
TNF P01375 1/20 0.30
IL6 P05231 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3579693 0.74 CYP2A6 (0.52) CYP2A6ERN1MEN1LMNATHRB
SCHEMBL30788041 0.74 MPL (0.41) MAOAMAOBSLC9A1MPLMEN1
SCHEMBL29942819 0.74 CYP2A6 (0.52) CYP2A6ERN1PIM1PIM3MEN1
SCHEMBL4604059 0.74 CYP2A6 (0.52) CYP2A6ERN1PIM1PIM3MEN1
SCHEMBL29160952 0.74 MPL (0.41) MAOAMAOBSLC9A1MPLMEN1
SCHEMBL17139919 0.74 MEN1 (0.36) CYP2A6MAOAMAOBSLC9A1MPL
SCHEMBL20954351 0.73 CYP2A6 (0.51) CYP2A6ERN1PIM1PIM3NFKB1
SCHEMBL31722391 0.72 CYP2A6 (0.46) CYP2A6ERN1
SCHEMBL5351904 0.72 TAS2R14 (0.41) SLC9A1MEN1LMNAKMT2A
SCHEMBL17207797 0.71 SLC9A1 (0.42) MAOBSLC9A1MPLMEN1LMNA

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 21 patents — showing the first 20. 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-B8 NOVEL BENZO-FUSED HETEROARYL SULFAMIDE DERIVATIVES USEFUL AS ANTICONVULSANT AGENTS JANSSEN PHARMACEUTICA NV (BE) 2008-12-24 EP 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
WO-2007095613-A2 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 WO disclosed
WO-2007095609-A2 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-23 WO disclosed
WO-2007095608-A2 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASE MODIFICATION OF EPILEPTOGENESIS JANSSEN PHARMACEUTICAL, N.V. (BE) 2007-08-23 WO disclosed
WO-2007095615-A2 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENTOF PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 WO 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-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
EP-1794143-A1 NOVEL BENZO-FUSED HETEROARYL SULFAMIDE DERIVATIVES USEFUL AS ANTICONVULSANT AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-13 EP disclosed
US-20060276528-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents ABDEL-MAGID AHMED F 2006-12-07 US disclosed
WO-2006023861-A1 NOVEL BENZO-FUSED HETEROARYL SULFAMIDE DERIVATIVES USEFUL AS ANTICONVULSANT AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-02 WO 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 (10 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 CYP2A6 135/4885ERN1 4413/4885PIM1 4173/4885
US-20070191449-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Depression TPH2, SULT2A1, SDHA CYP2A6 464/4885ERN1 4831/4885PIM1 3390/4885
US-20070191451-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS NLN, CTSA, SMN1; SMN2 CYP2A6 2859/4885ERN1 3139/4885PIM1 4427/4885
US-20060047001-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents GABRE, GABRB2, GABRA2 CYP2A6 223/4885ERN1 4454/4885PIM1 4270/4885
US-20070191460-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Disease Modification / Epileptogenesis SULT2A1, GABRB2, GABRB1 CYP2A6 143/4885ERN1 3974/4885PIM1 4568/4885
US-20070191459-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for Lowering Lipids and Lowering Blood Glucose Levels LIPC, GPR119, APOB CYP2A6 484/4885ERN1 4588/4885PIM1 2870/4885
US-20070293476-A1 CO-THERAPY FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS GABBR1, SYNGR2, GABBR2 CYP2A6 272/4885ERN1 4715/4885PIM1 4343/4885
US-20070191450-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Mania and Bipolar Disorder GABBR1, GABBR2, GABRB2 CYP2A6 381/4885ERN1 4834/4885PIM1 3824/4885
US-20070191452-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OPRL1, SULT2A1, OPRK1 CYP2A6 326/4885ERN1 4693/4885PIM1 3985/4885
US-20070191453-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION SULT2A1, SULT1A1, STS CYP2A6 146/4885ERN1 4015/4885PIM1 3045/4885

“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.