SCHEMBL1415228

SCHEMBL1415228

CC(C)(CF)C(=O)Nc1cccc(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
DDX3X O00571 2/20 0.57
PTGS1 P23219 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDK1 Q15118 4/20 0.46
PDK2 Q15119 4/20 0.46
PDK3 Q15120 4/20 0.46

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
SCHEMBL3209453 0.83 ALDH1A1 (0.66) ALDH1A1DDX3XPTGS1SMN1; SMN2HDAC3
SCHEMBL19675849 0.82 ALDH1A1 (0.64) ALDH1A1DDX3XPTGS1SMN1; SMN2HDAC3
SCHEMBL3220116 0.82 ALDH1A1 (0.64) ALDH1A1DDX3XPTGS1SMN1; SMN2HDAC3
SCHEMBL2723870 0.80 L3MBTL1 (0.65) ALDH1A1DDX3XPTGS1SMN1; SMN2HDAC3
SCHEMBL7956933 0.80 MAPT (0.52) ALDH1A1PTGS1SMN1; SMN2L3MBTL1PDK1
SCHEMBL8321463 0.80 PDK1 (0.61) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16444667 0.77 ALDH1A1 (0.57) ALDH1A1DDX3XPTGS1SMN1; SMN2HDAC3
SCHEMBL28021717 0.77 ALDH1A1 (0.57) ALDH1A1DDX3XPTGS1SMN1; SMN2HDAC3
SCHEMBL9427642 0.77 DDX3X (0.65) ALDH1A1DDX3XPTGS1SMN1; SMN2HDAC3
SCHEMBL11423971 0.77 DDX3X (0.65) ALDH1A1DDX3XPTGS1SMN1; SMN2HDAC3

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
EP-1417186-B1 HETEROCYCLIC ARYL SULPHONAMIDES AICURIS GMBH & CO KG (DE) 2011-03-16 EP disclosed
EP-1417186-B1 HETEROCYCLIC ARYL SULPHONAMIDES AICURIS GMBH & CO KG (DE) 2011-03-16 EP disclosed
US-7115612-B2 Arylsulfonamides as antiviral agents BAYER AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-7115636-B2 Hetrocyclic aryl sulphonamides BAYER HEALTHCARE AG (DE) 2006-10-03 US disclosed
EP-1383749-B1 ARYLSULFONAMIDES AS ANTIVIRAL AGENTS BAYER HEALTHCARE AG (DE) 2005-11-02 EP disclosed
US-20050085549-A1 Hetrocyclic aryl sulphonamides AIC246 AG & CO. KG (DE) 2005-04-21 US disclosed
US-20040176374-A1 Arylsulfonamides as antiviral agents AIC246 AG & CO. KG (DE) 2004-09-09 US disclosed
CN-1516695-A Arylsulfonamides as antiviral agents 2004-07-28 CN disclosed
US-20040122076-A1 Sulphonamides for the treatment of central nervous system diseases BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US disclosed
EP-1417186-A2 HETEROCYCLIC ARYL SULPHONAMIDES Bayer HealthCare AG (DE) 2004-05-12 EP disclosed
EP-1383749-A1 ARYLSULFONAMIDES AS ANTIVIRAL AGENTS Bayer HealthCare AG (DE) 2004-01-28 EP disclosed
WO-2003014094-A2 HETEROCYCLIC ARYL SULPHONAMIDES BAYER HEALTHCARE AG (DE) 2003-02-20 WO disclosed
US-6498183-B1 TREATMENT AND PROPHYLAXIS OF DISORDERS CAUSED BY HERPES VIRUSES, IN PARTICULAR HUMAN CYTOMEGALOVIRUS BAYER AKTIENGESELLSCHAFT (DE) 2002-12-24 US disclosed
WO-2002085869-A1 ARYLSULFONAMIDES AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-31 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-20040122076-A1 Sulphonamides for the treatment of central nervous system diseases HTR6, SLC6A4, AANAT ALDH1A1 1365/4885DDX3X 2318/4885PTGS1 825/4885
US-20050085549-A1 Hetrocyclic aryl sulphonamides SULT2A1, STS, SULT1E1 ALDH1A1 1443/4885DDX3X 98/4885PTGS1 2357/4885
US-20040176374-A1 Arylsulfonamides as antiviral agents IFNAR1, ARSA, TPMT ALDH1A1 1239/4885DDX3X 158/4885PTGS1 3801/4885

“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.