SCHEMBL2202292

SCHEMBL2202292

ClC(c1ccccc1)C1CCCC[N]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
IDO1 P14902 3/20 0.36
LMNA P02545 2/20 0.34
CYP19A1 P11511 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTR1E P28566 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR3 Q99500 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL11572938 0.76 GAA (0.33) GAAL3MBTL1IDO1LMNACYP19A1
SCHEMBL5207895 0.74 DPP4 (0.37) GAAL3MBTL1TSHRIDO1CYP2D6
SCHEMBL9460794 0.74 EPHX1 (0.38) GAAL3MBTL1TSHRLMNACYP2D6
SCHEMBL3909948 0.74 GAA (0.41) GAAL3MBTL1LMNACYP2D6
SCHEMBL9460799 0.74 EPHX1 (0.38) GAAL3MBTL1TSHRLMNACYP2D6
SCHEMBL2254431 0.74 L3MBTL1 (0.33) GAAL3MBTL1TSHRIDO1LMNA
SCHEMBL9460882 0.74 EPHX1 (0.38) GAAL3MBTL1TSHRLMNACYP2D6
SCHEMBL9563239 0.74 IDO1 (0.50) GAAL3MBTL1TSHRIDO1LMNA
SCHEMBL11754971 0.72 IDO1 (0.53) GAAL3MBTL1TSHRIDO1LMNA
SCHEMBL6479209 0.69 GRIN2B (0.36) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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 (1 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 GAA 886/4885L3MBTL1 3739/4885TSHR 485/4885

“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.