SCHEMBL2230534

SCHEMBL2230534

O=C(NCCCN1CCOCC1)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
GLA P06280 1/20 0.61
GAA P10253 1/20 0.61
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC3 O15379 1/20 0.52
LMNA P02545 1/20 0.50
RAB9A P51151 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
SCHEMBL280406 0.85 MEN1 (0.76) MEN1KMT2AL3MBTL1GLAGAA
SCHEMBL20618526 0.84 KMT2A (0.74) MEN1KMT2AL3MBTL1GLAGAA
SCHEMBL3980169 0.84 MEN1 (0.74) MEN1KMT2AL3MBTL1GLAGAA
SCHEMBL279608 0.82 MEN1 (0.74) MEN1KMT2AL3MBTL1GLAGAA
SCHEMBL12265881 0.81 MEN1 (0.69) MEN1KMT2AL3MBTL1GLAGAA
SCHEMBL12313823 0.81 MEN1 (0.72) MEN1KMT2AL3MBTL1GLAGAA
SCHEMBL14395498 0.81 MEN1 (0.72) MEN1KMT2AL3MBTL1GLAGAA
SCHEMBL3975764 0.78 MEN1 (0.64) MEN1KMT2AL3MBTL1GLAGAA
SCHEMBL3975773 0.78 MEN1 (0.64) MEN1KMT2AL3MBTL1GLAGAA
SCHEMBL277558 0.78 MEN1 (0.64) MEN1KMT2AL3MBTL1GLAGAA

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 MEN1 4272/4885KMT2A 84/4885L3MBTL1 3739/4885

“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.