SCHEMBL2204294

SCHEMBL2204294

O=C(c1cc2ccccc2[nH]1)C1CNCC[N]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.49
MAOB P27338 1/20 0.48
HRH4 Q9H3N8 3/20 0.48
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.48
DAO P14920 1/20 0.48
HPGD P15428 1/20 0.48
SRD5A2 P31213 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL1553348 0.73 FLT3 (0.48) FLT3MAOBHRH4HRH3KDM4E
SCHEMBL7024844 0.72 FLT3 (0.62) FLT3MAOBHRH4HRH3KDM4E
SCHEMBL8496203 0.70 HRH4 (0.53) FLT3MAOBHRH4HRH3KDM4E
SCHEMBL3449404 0.70 HRH4 (0.53) FLT3MAOBHRH4HRH3KDM4E
SCHEMBL18900665 0.70 FLT3 (0.59) FLT3MAOBHRH4HRH3KDM4E
SCHEMBL844809 0.70 CHRNB2 (0.46) KDM4EMAPTHSD17B10ALDH1A1GAA
SCHEMBL3559018 0.70 CES2 (0.41) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL7030607 0.69 FLT3 (0.57) FLT3MAOBHRH4HRH3KDM4E
SCHEMBL3603280 0.68 KDR (0.59) FLT3MAOBKDM4EHSD17B10ALDH1A1
SCHEMBL3603283 0.68 KDR (0.59) FLT3MAOBKDM4EHSD17B10ALDH1A1

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 FLT3 921/4885MAOB 700/4885HRH4 1306/4885

“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.