SCHEMBL2200417

SCHEMBL2200417

O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NAAA Q02083 2/20 0.54
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.52
HDAC6 Q9UBN7 5/20 0.51
CYP2C9 P11712 3/20 0.51
HDAC1 Q13547 4/20 0.49
HDAC3 O15379 2/20 0.49
HCAR2 Q8TDS4 1/20 0.48
HDAC4 P56524 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RBP4 P02753 1/20 0.43

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
SCHEMBL4100656 0.79 NAAA (0.62) LMNAHTTSMN1; SMN2NAAAGAA
SCHEMBL2200579 0.78 MAPT (0.74) LMNAHTTSMN1; SMN2NAAAKMT2A
SCHEMBL17707630 0.76 HDAC6 (0.63) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL5318590 0.75 GAA (0.67) LMNAHTTSMN1; SMN2NAAAGAA
SCHEMBL17707627 0.74 AKT1 (0.51) HDAC6CYP2C9HDAC1HDAC3HDAC4
SCHEMBL3585561 0.74 LMNA (0.75) LMNAHTTSMN1; SMN2NAAAGAA
SCHEMBL2202414 0.74 KMT2A (0.69) SMN1; SMN2GAAKMT2ATSHRHDAC6
Trifluoroacetic Acid SCHEMBL17707596 0.73 HDAC6 (0.60) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL2201554 0.73 HDAC6 (0.57) LMNAHTTSMN1; SMN2KMT2AHDAC6
SCHEMBL880471 0.73 GAA (0.64) LMNAHTTSMN1; SMN2NAAAGAA

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 LMNA 4704/4885HTT 31/4885SMN1; SMN2 1095/4885

“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.