SCHEMBL3095193

SCHEMBL3095193

O=C(c1cnc(-c2ccc(Oc3ccccc3)cc2)s1)C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.77
HDAC1 Q13547 4/20 0.77
HDAC4 P56524 4/20 0.53
HDAC3 O15379 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPT P10636 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
NFKB1 P19838 1/20 0.47
PPARG P37231 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL3100772 0.88 HDAC6 (0.94) HDAC6HDAC1HDAC4HDAC3MAPT
SCHEMBL3087014 0.87 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3MAPT
SCHEMBL3094096 0.80 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC3MAPT
SCHEMBL3097654 0.79 HDAC6 (0.73) HDAC6HDAC1HDAC4HDAC3HDAC2
SCHEMBL3095160 0.79 HDAC6 (0.73) HDAC6HDAC1HDAC4MAPTNPC1
SCHEMBL3101373 0.77 HDAC6 (0.69) HDAC6HDAC1HDAC4HDAC3HDAC2
SCHEMBL3100934 0.77 HDAC6 (0.75) HDAC6HDAC1HDAC4HDAC3RAB9A
Trifluoroacetic Acid SCHEMBL3104334 0.77 HDAC6 (0.74) HDAC6HDAC1HDAC4HDAC3HDAC2
SCHEMBL3093557 0.76 HDAC6 (0.68) HDAC6HDAC1HDAC4MAPTNPC1
SCHEMBL3101178 0.75 HDAC1 (0.66) HDAC6HDAC1HDAC4MAPTNPC1

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.