SCHEMBL3090259

SCHEMBL3090259

O=C(c1cccc(-c2ccc(C(=O)C(F)(F)F)s2)c1)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.65
HDAC1 Q13547 5/20 0.65
HPGD P15428 5/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 1/20 0.54
MLYCD O95822 1/20 0.50
HDAC4 P56524 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
ERN1 O75460 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
SCHEMBL2224563 0.79 HDAC6 (1.00) HDAC6HDAC1POLBHDAC4MEN1
SCHEMBL6913495 0.79 HDAC6 (0.51) HDAC6HDAC1HPGDLMNAHDAC4
SCHEMBL2225582 0.77 HDAC6 (0.52) HDAC6HDAC1LMNAHDAC4MEN1
SCHEMBL14134496 0.76 NPSR1 (0.67) HDAC6HDAC1HPGDPOLBNPSR1
SCHEMBL3094688 0.76 HDAC6 (1.00) HDAC6HDAC1HPGDPOLBHDAC4
SCHEMBL23440313 0.73 HPGD (0.71) HPGDPOLBLMNAMEN1NPC1
SCHEMBL29699833 0.73 HPGD (0.71) HPGDPOLBLMNAMEN1NPC1
SCHEMBL18397598 0.73 HPGD (0.71) HPGDPOLBLMNAMEN1NPC1
SCHEMBL7127339 0.72 HPGD (0.77) HPGDPOLBLMNAMEN1NPC1
SCHEMBL28504587 0.72 HPGD (0.72) HPGDPOLBLMNAMEN1NPC1

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 1/4885HPGD 1622/4885

“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.