SCHEMBL3086413

SCHEMBL3086413

O=C(c1ccc(-c2cn(Cc3ccc4ccccc4c3)nn2)s1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSP90AB1 P08238 2/20 0.49
EGLN1 Q9GZT9 1/20 0.47
HDAC1 Q13547 6/20 0.47
HDAC6 Q9UBN7 9/20 0.44
HDAC4 P56524 5/20 0.44
HDAC3 O15379 2/20 0.44
KLKB1 P03952 1/20 0.44
ACHE P22303 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TNIK Q9UKE5 1/20 0.39

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
SCHEMBL3104273 0.87 HDAC6 (0.52) MEN1KMT2AHDAC1HDAC6HDAC4
SCHEMBL3093586 0.83 HDAC6 (0.54) MEN1KMT2AHSP90AB1EGLN1HDAC1
SCHEMBL4707130 0.80 HDAC1 (0.57) HDAC1HDAC6HDAC4HDAC3
SCHEMBL3088681 0.79 HDAC6 (0.52) HDAC1HDAC6HDAC4HDAC3
SCHEMBL4709223 0.79 HDAC6 (0.44) MEN1KMT2AHSP90AB1HDAC1HDAC6
SCHEMBL3097857 0.74 HDAC6 (0.43) HDAC1HDAC6HDAC4HDAC3
SCHEMBL3098097 0.72 NPC1 (0.45) HDAC1HDAC6HDAC4HDAC3
SCHEMBL13880394 0.72 CYP19A1 (0.54) MEN1KMT2AHDAC1HDAC6HDAC4
SCHEMBL3094045 0.71 RAB9A (0.50) HDAC1HDAC6HDAC4HDAC3
SCHEMBL13154055 0.71 HDAC6 (0.51) HDAC1HDAC6HDAC4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987024-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-10-19 EP disclosed
US-7799825-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-21 US disclosed
US-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-03-19 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-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC4, HDAC7 MEN1 4428/4885KMT2A 295/4885HSP90AB1 159/4885

“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.