SCHEMBL1635525

SCHEMBL1635525

O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])c(S(F)(F)(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 4/20 0.54
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
NPC1 O15118 3/20 0.41
TLR9 Q9NR96 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PIM3 Q86V86 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
MASP2 O00187 1/20 0.39
F2 P00734 1/20 0.39
S1PR4 O95977 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 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
SCHEMBL11623150 0.78 LMNA (0.58) SCN2AMEN1KMT2ACA12CA1
SCHEMBL9179731 0.77 SCN2A (0.59) SCN2AMEN1KMT2ACA12CA1
SCHEMBL1634308 0.77 KMT2A (0.49) SCN2AMEN1KMT2ACA12CA1
SCHEMBL15172843 0.77 SCN2A (0.64) SCN2AMEN1KMT2ACA12CA1
SCHEMBL1635602 0.75 LMNA (0.44) SCN2AMEN1KMT2ACA12CA2
SCHEMBL1633789 0.73 MEN1 (0.45) SCN2AMEN1KMT2ACA12CA1
SCHEMBL1633788 0.73 MEN1 (0.45) SCN2AMEN1KMT2ACA12CA1
SCHEMBL1973251 0.71 SCN2A (1.00) SCN2AMEN1KMT2ACA12CA1
SCHEMBL30118348 0.71 SCN2A (1.00) SCN2AMEN1KMT2ACA12CA1
SCHEMBL11669113 0.70 SCN2A (1.00) SCN2AMEN1KMT2ACA12CA1

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
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
US-7932416-B2 Prepared by electrophilic aromatic substitution via halogenation, chlorosulfonation or nitration of a pentafluorosulfanylbenzene; 2-Methyl-5-nitro-4-pentafluorosulfuranylbenzoic acid; for liquid crystals, polymers, pesticides, herbicides, fungicides, nematocides, parasiticides, insecticides, acaricides SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-26 US disclosed
US-7932416-B2 Prepared by electrophilic aromatic substitution via halogenation, chlorosulfonation or nitration of a pentafluorosulfanylbenzene; 2-Methyl-5-nitro-4-pentafluorosulfuranylbenzoic acid; for liquid crystals, polymers, pesticides, herbicides, fungicides, nematocides, parasiticides, insecticides, acaricides SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-26 US disclosed
US-7759366-B2 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2010-07-20 US disclosed
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (FR) 2008-04-17 US disclosed
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (FR) 2008-04-17 US disclosed
US-7317124-B2 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-7317124-B2 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-20050148652-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-07 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 (4 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-20050148652-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO SCN2A 3950/4885MEN1 2796/4885KMT2A 3620/4885
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use GPR119, GIPR, LIPC SCN2A 1969/4885MEN1 3627/4885KMT2A 1972/4885
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO SCN2A 3950/4885MEN1 2796/4885KMT2A 3620/4885
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC SCN2A 3558/4885MEN1 2512/4885KMT2A 2322/4885

“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.