SCHEMBL3093586

SCHEMBL3093586

Cc1ccc(Cn2cc(-c3ccc(C(=O)C(F)(F)F)s3)nn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.54
HDAC1 Q13547 5/20 0.54
HDAC4 P56524 4/20 0.54
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ATM Q13315 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGS2 P35354 1/20 0.46
KDR P35968 4/20 0.45
EPHB4 P54760 3/20 0.45
TEK Q02763 3/20 0.45
S1PR1 P21453 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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 0.88 HDAC6 (0.52) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL4709223 0.87 HDAC6 (0.44) HDAC6HDAC1HDAC4MEN1KMT2A
SCHEMBL4707130 0.86 HDAC1 (0.57) HDAC6HDAC1HDAC4HDAC3
SCHEMBL3086413 0.83 MEN1 (0.50) HDAC6HDAC1HDAC4MEN1KMT2A
SCHEMBL13154055 0.76 HDAC6 (0.51) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL3088681 0.76 HDAC6 (0.52) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3098097 0.75 NPC1 (0.45) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL13880394 0.75 CYP19A1 (0.54) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3094045 0.74 RAB9A (0.50) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3093353 0.70 HDAC6 (1.00) HDAC6HDAC1HDAC4NPC1RAB9A

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 HDAC6 10/4885HDAC1 1/4885HDAC4 2/4885

“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.