SCHEMBL2204376

SCHEMBL2204376

Clc1ccccc1C(c1ccccc1)C1CNCC[N]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.39
SLC6A4 P31645 16/20 0.39
SLC6A3 Q01959 15/20 0.39
CYP2D6 P10635 4/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
IDO2 Q6ZQW0 2/20 0.36
ACP3 P15309 1/20 0.34
HRH1 P35367 1/20 0.33

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
SCHEMBL5817755 0.85 NISCH (0.35) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7993381 0.83 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6IDO1
SCHEMBL9152285 0.76 NISCH (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL9291204 0.76 MAOA (0.36) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2011593 0.70 NISCH (0.34) SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL2200816 0.70 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL8819306 0.70 NISCH (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL9253500 0.69 IDO1 (0.40) SLC6A2SLC6A4SLC6A3IDO1TDO2
SCHEMBL4023118 0.69 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4023684 0.68 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6

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 SLC6A2 2273/4885SLC6A4 1424/4885SLC6A3 603/4885

“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.