SCHEMBL2200927

SCHEMBL2200927

CCCCOC(=O)n1[c]cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
BCHE P06276 1/20 0.47
TSHR P16473 9/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 2/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 3/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX15 P16050 1/20 0.42
CYP3A4 P08684 3/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5635573 0.75 NOTUM (0.53) KMT2AMEN1BCHETSHRL3MBTL1
SCHEMBL28613208 0.75 TSHR (0.47) KMT2AMEN1BCHETSHRL3MBTL1
SCHEMBL289936 0.75 NR1H2 (0.42) BCHEL3MBTL1NR1H2
SCHEMBL30403372 0.74 TSHR (0.53) KMT2AMEN1BCHETSHRL3MBTL1
SCHEMBL30786241 0.73 ASAH1 (0.57) KMT2AMEN1BCHETSHRL3MBTL1
SCHEMBL5788693 0.73 NOTUM (0.47) KMT2AMEN1TSHRL3MBTL1ALDH1A1
SCHEMBL4912232 0.73 TDP1 (0.41) KMT2AMEN1BCHETSHRL3MBTL1
SCHEMBL16512787 0.71 RAB9A (0.60) KMT2AMEN1TSHRL3MBTL1RAB9A
SCHEMBL9124126 0.71 MCL1 (0.49) KMT2AMEN1BCHETSHRALDH1A1
SCHEMBL1642678 0.71 DAO (0.39) KMT2AMEN1TSHRL3MBTL1ALDH1A1

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 KMT2A 84/4885MEN1 4272/4885BCHE 1618/4885

“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.