SCHEMBL3098097

SCHEMBL3098097

O=C(c1ccc(-c2cn(CC3CCC3)nn2)s1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HDAC6 Q9UBN7 13/20 0.45
HDAC1 Q13547 9/20 0.45
HDAC4 P56524 6/20 0.45
HDAC3 O15379 4/20 0.45
HDAC8 Q9BY41 2/20 0.43
NAMPT P43490 1/20 0.41
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL3094045 0.97 RAB9A (0.50) NPC1RAB9AHDAC6HDAC1HDAC4
SCHEMBL3104273 0.77 HDAC6 (0.52) NPC1RAB9AHDAC6HDAC1HDAC4
SCHEMBL3093586 0.75 HDAC6 (0.54) NPC1RAB9AHDAC6HDAC1HDAC4
SCHEMBL13154055 0.74 HDAC6 (0.51) HDAC6HDAC1HDAC4HDAC3HDAC8
SCHEMBL4707130 0.73 HDAC1 (0.57) HDAC6HDAC1HDAC4HDAC3
SCHEMBL3088681 0.72 HDAC6 (0.52) NPC1RAB9AHDAC6HDAC1HDAC4
SCHEMBL4709223 0.72 HDAC6 (0.44) HDAC6HDAC1HDAC4HDAC3HDAC8
SCHEMBL3086413 0.72 MEN1 (0.50) HDAC6HDAC1HDAC4HDAC3
SCHEMBL19813140 0.68 RAB9A (0.52) NPC1RAB9ANAMPT
SCHEMBL8237138 0.66 HDAC6 (0.53) HDAC6HDAC1HDAC4HDAC3HDAC8

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-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
EP-1987024-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-11-05 EP disclosed
WO-2007093827-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-08-23 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-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC4, HDAC7 NPC1 2315/4885RAB9A 2728/4885HDAC6 10/4885

“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.