SCHEMBL2229698

SCHEMBL2229698

O=C(NCc1cccnc1)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.72
HDAC6 Q9UBN7 5/20 0.72
HDAC4 P56524 4/20 0.72
HDAC3 O15379 3/20 0.72
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.51
USP2 O75604 1/20 0.51
MMP13 P45452 1/20 0.51
SORT1 Q99523 1/20 0.51
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL2203009 0.96 HDAC1 (0.71) HDAC1HDAC6HDAC4HDAC3NPSR1
SCHEMBL1588305 0.84 RECQL (0.60) NPSR1HTTALDH1A1LMNAMAPT
SCHEMBL17707613 0.84 HDAC6 (1.00) HDAC1HDAC6HDAC4HDAC3TSHR
SCHEMBL14625755 0.83 NPSR1 (0.56) NPSR1HTTALDH1A1LMNAMAPT
SCHEMBL1587643 0.81 GAA (0.58) NPSR1HTTALDH1A1LMNAMAPT
SCHEMBL12265879 0.80 LMNA (0.62) NPSR1HTTALDH1A1LMNAMAPT
SCHEMBL14145271 0.79 NPSR1 (0.53) NPSR1HTTALDH1A1LMNAMAPT
SCHEMBL12313834 0.79 HPGD (0.57) NPSR1HTTALDH1A1LMNAMAPT
SCHEMBL2202547 0.78 L3MBTL1 (0.60) HDAC1HDAC6HDAC4HDAC3HTT
SCHEMBL2203603 0.78 HDAC1 (0.77) HDAC1HDAC6HDAC4HDAC3ALDH1A1

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 4 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

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 HDAC1 1/4885HDAC6 6/4885HDAC4 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.