SCHEMBL3081835

SCHEMBL3081835

O=C(/C=C/c1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1)NCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
HDAC6 Q9UBN7 9/20 0.46
HDAC1 Q13547 6/20 0.46
LMNA P02545 4/20 0.46
TP53 P04637 1/20 0.46
HDAC4 P56524 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC3 O15379 3/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL3081838 1.00 HPGD (0.47) HPGDKDM4ERECQLHDAC6HDAC1
SCHEMBL3092930 0.91 HDAC6 (0.49) HPGDKDM4ERECQLHDAC6HDAC1
SCHEMBL3092917 0.91 HDAC6 (0.49) HPGDKDM4ERECQLHDAC6HDAC1
SCHEMBL3092920 0.84 HDAC6 (0.61) KDM4EHDAC6HDAC1LMNAHDAC4
SCHEMBL2225264 0.81 HDAC6 (0.57) HPGDKDM4EHDAC6HDAC1LMNA
SCHEMBL3080077 0.77 HDAC6 (0.64) HDAC6HDAC1HDAC4MEN1KMT2A
SCHEMBL3080076 0.77 HDAC6 (0.64) HDAC6HDAC1HDAC4MEN1KMT2A
SCHEMBL2227293 0.77 HDAC6 (0.60) HDAC6HDAC1HDAC4MEN1KMT2A
SCHEMBL3090305 0.77 HDAC6 (0.56) HDAC6HDAC1HDAC4ALDH1A1POLB
SCHEMBL2226435 0.76 HDAC6 (0.57) HDAC6HDAC1LMNAHDAC4MEN1

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 HPGD 1622/4885KDM4E 364/4885RECQL 3983/4885

“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.