SCHEMBL2204285

SCHEMBL2204285

O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCC(Br)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.55
HDAC1 Q13547 9/20 0.55
HDAC3 O15379 6/20 0.55
CYP2C9 P11712 3/20 0.55
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC4 P56524 6/20 0.49
HPGD P15428 5/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
YEATS4 O95619 1/20 0.41
MLYCD O95822 1/20 0.41

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
SCHEMBL17707579 0.84 HDAC6 (0.56) HDAC6HDAC1HDAC3CYP2C9L3MBTL3
SCHEMBL17707597 0.82 L3MBTL3 (0.61) HDAC6HDAC1HDAC3CYP2C9L3MBTL3
SCHEMBL4773133 0.81 L3MBTL3 (0.53) HDAC6HDAC1HDAC3CYP2C9L3MBTL3
SCHEMBL2204120 0.80 HDAC6 (0.55) HDAC6HDAC1HDAC3CYP2C9L3MBTL3
SCHEMBL2200435 0.79 HDAC6 (0.59) HDAC6HDAC1HDAC3CYP2C9L3MBTL3
SCHEMBL2202147 0.79 ALDH1A1 (0.60) HDAC6HDAC1HDAC3CYP2C9HDAC4
Trifluoroacetic Acid SCHEMBL2203749 0.79 L3MBTL1 (0.57) HDAC6HDAC1HDAC3CYP2C9L3MBTL3
SCHEMBL2203217 0.78 HDAC6 (0.52) HDAC6HDAC1HDAC3CYP2C9L3MBTL3
SCHEMBL2202464 0.78 CYP2C9 (0.62) HDAC6HDAC1HDAC3CYP2C9
SCHEMBL2202532 0.78 HPGD (0.59) HDAC6HDAC1HDAC3CYP2C9L3MBTL3

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 6 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 claimed
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 HDAC6 6/4885HDAC1 1/4885HDAC3 9/4885

“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.