SCHEMBL2204841

SCHEMBL2204841

O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CC[N+](Cc2ccncc2)(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.42
CYP2C9 P11712 7/20 0.42
HDAC1 Q13547 11/20 0.40
HDAC3 O15379 7/20 0.39
HDAC4 P56524 10/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL2207594 0.89 HDAC6 (0.41) HDAC6CYP2C9HDAC1HDAC3HDAC4
SCHEMBL2203308 0.81 HDAC6 (0.60) HDAC6CYP2C9HDAC1HDAC3HDAC4
SCHEMBL2203229 0.80 HDAC6 (0.41) HDAC6CYP2C9HDAC1HDAC3HDAC4
SCHEMBL2201578 0.80 HDAC6 (0.47) HDAC6CYP2C9HDAC1HDAC3HDAC4
SCHEMBL2203430 0.79 HDAC6 (0.48) HDAC6CYP2C9HDAC1HDAC3HDAC4
SCHEMBL2205603 0.78 HDAC6 (0.48) HDAC6CYP2C9HDAC1HDAC3HDAC4
SCHEMBL2203047 0.78 HDAC6 (0.44) HDAC6CYP2C9HDAC1HDAC3HDAC4
SCHEMBL17707661 0.76 KDM4E (0.58) HDAC6CYP2C9HDAC1ALDH1A1KDM4E
SCHEMBL2202316 0.76 HDAC6 (0.44) HDAC6CYP2C9HDAC1HDAC3HDAC4
SCHEMBL2203753 0.75 HDAC6 (0.46) HDAC6CYP2C9HDAC1HDAC3HDAC4

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 4 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

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 6/4885CYP2C9 2067/4885HDAC1 1/4885

“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.