SCHEMBL3094136

SCHEMBL3094136

O=C(c1ccc(-c2ccccn2)s1)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.70
HDAC1 Q13547 10/20 0.70
HDAC4 P56524 8/20 0.70
KDM4E B2RXH2 3/20 0.67
HDAC3 O15379 4/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 2/20 0.55
GLA P06280 1/20 0.55
PPARG P37231 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL26054492 0.84 KDM4E (0.67) HDAC6HDAC1HDAC4KDM4EHDAC3
SCHEMBL3094375 0.84 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL27623934 0.82 KDM4E (0.77) HDAC6HDAC1HDAC4KDM4EHDAC3
SCHEMBL373105 0.80 KDM4E (1.00) HDAC6HDAC1HDAC4KDM4EHDAC3
SCHEMBL29631004 0.80 KDM4E (1.00) HDAC6HDAC1HDAC4KDM4EHDAC3
SCHEMBL9374034 0.79 KDM4E (0.73) HDAC6HDAC1HDAC4KDM4EHDAC3
SCHEMBL193466 0.79 KDM4E (0.73) HDAC6HDAC1HDAC4KDM4EHDAC3
SCHEMBL359879 0.79 KDM4E (0.73) HDAC6HDAC1HDAC4KDM4EHDAC3
SCHEMBL5903774 0.78 HDAC1 (1.00) HDAC6HDAC1HDAC4KDM4EHDAC3
SCHEMBL3094688 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC4KDM4EHDAC3

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 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.