SCHEMBL2199715

SCHEMBL2199715

O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.60
HDAC6 Q9UBN7 6/20 0.60
HDAC4 P56524 5/20 0.60
HDAC3 O15379 4/20 0.60
AKT3 Q9Y243 3/20 0.57
TRPV1 Q8NER1 1/20 0.57
CNR1 P21554 1/20 0.50
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2230877 0.88 HDAC1 (0.75) HDAC1HDAC6HDAC4HDAC3
SCHEMBL6435988 0.79 TRPV1 (0.60) TRPV1CNR1KMT2AHPGDMEN1
SCHEMBL2202207 0.79 HDAC6 (0.50) HDAC1HDAC6HDAC4HDAC3AKT3
SCHEMBL13992638 0.78 AKT3 (0.53) AKT3TRPV1CNR1KMT2AHPGD
SCHEMBL2232011 0.76 HDAC1 (0.75) HDAC1HDAC6HDAC4HDAC3KMT2A
SCHEMBL4774806 0.76 HDAC1 (1.00) HDAC1HDAC6HDAC4HDAC3NPC1
SCHEMBL2203043 0.75 HDAC1 (0.66) HDAC1HDAC6HDAC4HDAC3TRPV1
SCHEMBL4767602 0.74 HDAC1 (0.78) HDAC1HDAC6HDAC4HDAC3KMT2A
SCHEMBL5003660 0.74 AKT3 (0.72) AKT3CNR1KMT2A
SCHEMBL5000548 0.74 AKT3 (0.72) AKT3

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 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.