SCHEMBL2200352

SCHEMBL2200352

c1ccc(OCC2COCC[N]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TAAR1 Q96RJ0 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GRM2 Q14416 1/20 0.35

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
SCHEMBL5536178 0.75 TDP1 (0.46) TDP1TAAR1
SCHEMBL3154472 0.73 TDP1 (0.44) TDP1
SCHEMBL7287425 0.72 TAAR1 (0.51) TAAR1
Oxirane SCHEMBL15602787 0.70 TDP1 (0.89) TDP1SMN1; SMN2ALDH1A1TP53CYP3A4
Oxirane SCHEMBL1004512 0.70 TDP1 (0.89) TDP1SMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL3822144 0.70 TDP1 (0.73) TDP1SMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL5481920 0.70 TDP1 (0.62) TDP1TAAR1SMN1; SMN2ALDH1A1TP53
SCHEMBL11049090 0.69 TDP1 (0.71) TDP1SMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL5254363 0.69 TAAR1 (0.49) TAAR1MEN1KMT2A
SCHEMBL3611171 0.68 TAAR1 (0.77) TAAR1

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 5 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 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 TDP1 589/4885TAAR1 2703/4885SMN1; 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.