SCHEMBL2201904

SCHEMBL2201904

O=C(NCC1C[N+](OC(=O)C(F)(F)F)(c2ccccc2)CCO1)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.45
HDAC1 Q13547 10/20 0.45
HDAC4 P56524 9/20 0.45
HDAC3 O15379 8/20 0.45
KMT2A Q03164 2/20 0.38
HPGD P15428 4/20 0.37
F10 P00742 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP2C9 P11712 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2202395 0.86 HDAC6 (0.48) HDAC6HDAC1HDAC4HDAC3KMT2A
SCHEMBL2206274 0.75 HDAC6 (0.45) HDAC6HDAC1HDAC4HDAC3HPGD
SCHEMBL2204276 0.75 HDAC4 (0.66) HDAC6HDAC1HDAC4HDAC3KMT2A
SCHEMBL17707638 0.72 F10 (0.52) HDAC6HDAC1HDAC4HDAC3F10
SCHEMBL4777350 0.71 HIF1A (0.41) HDAC6HDAC1HDAC4HDAC3KMT2A
Trifluoroacetic Acid SCHEMBL2201899 0.71 F10 (0.50) HDAC6HDAC1HDAC4HDAC3F10
SCHEMBL17707604 0.70 HDAC1 (0.54) HDAC6HDAC1HDAC4HDAC3KMT2A
SCHEMBL2205341 0.70 HDAC6 (0.39) HDAC6HDAC1HDAC4HDAC3CYP2C9
Trifluoroacetic Acid SCHEMBL2202392 0.69 HDAC1 (0.52) HDAC6HDAC1HDAC4HDAC3KMT2A
SCHEMBL2201513 0.68 NPC1 (0.71) HDAC6HDAC1HDAC4HDAC3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 HDAC6 6/4885HDAC1 1/4885HDAC4 4/4885

“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.