SCHEMBL3094089

SCHEMBL3094089

CC1(C)COB(c2ccc3nccnc3c2)OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.43
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
SHMT2 P34897 1/20 0.33
ECE2 P0DPD6 1/20 0.31
PIK3CD O00329 1/20 0.31
NPC1 O15118 1/20 0.31
CSNK2A2 P19784 1/20 0.31
MAOB P27338 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
CLK1 P49759 1/20 0.31
RAB9A P51151 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL2329181 0.79 SNCA (0.46) SNCA
SCHEMBL20357 0.78 LPL (0.44) SNCA
SCHEMBL4264297 0.76 SNCA (0.44) SNCA
SCHEMBL12524584 0.75 SNCA (0.46) SNCA
SCHEMBL16426133 0.73 SNCA (0.38) SNCA
SCHEMBL22347976 0.73 SNCA (0.43) SNCAMEN1GAAKMT2APOLB
SCHEMBL16626289 0.73 SNCA (0.39) SNCA
SCHEMBL2538252 0.72 SNCA (0.38) SNCA
SCHEMBL22347223 0.72 SNCA (0.56) SNCAMEN1GAAKMT2ANPC1
SCHEMBL4473651 0.72 SNCA (0.47) SNCAGAAKMT2APOLBNPC1

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 3 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

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 SNCA 3466/4885MEN1 4428/4885GLA 2519/4885

“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.