SCHEMBL2200620

SCHEMBL2200620

c1cc2c(cc1N1CC[N]CC1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.51
MAPT P10636 4/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
BRD9 Q9H8M2 3/20 0.44
NOTUM Q6P988 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41

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
SCHEMBL24434520 0.83 CMA1 (0.56) CMA1MAPTHSD17B10POLBKDM4E
SCHEMBL11696465 0.81 CMA1 (0.55) CMA1MAPTHSD17B10POLBKDM4E
SCHEMBL19500868 0.80 MAPT (0.59) CMA1MAPTHSD17B10POLBKDM4E
SCHEMBL254552 0.79 ADRB1 (0.51) CMA1MAPTHSD17B10POLBKMT2A
SCHEMBL13727501 0.79 NPC1 (0.59) CMA1MAPTHSD17B10KDM4EBRD9
SCHEMBL1360709 0.77 CMA1 (0.59) CMA1MAPTHSD17B10POLBKDM4E
Hydrochloric Acid SCHEMBL5675045 0.77 ADRB1 (0.50) CMA1MAPTHSD17B10POLBKMT2A
Hydrochloric Acid SCHEMBL10755464 0.77 ADRB1 (0.50) CMA1MAPTHSD17B10POLBKMT2A
Hydrochloric Acid SCHEMBL4467034 0.77 ADRB1 (0.50) CMA1MAPTHSD17B10POLBKMT2A
SCHEMBL3491024 0.77 CMA1 (0.43) CMA1MAPTHSD17B10POLBKDM4E

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 8 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
US-4302588-A 5-(3-SUBSTITUTED AMINO)-2-HYDROXY-PROPYLOXY)-8-HYDROXY OR ALKOXY-CARBOSTYRILS, ADRENERGIC BLOCKING AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-24 US disclosed
US-4289883-A ADRENERGIC BLOCKING AGENTS OF EXCELLENT CARDIOSELECTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-15 US disclosed
US-4210753-A TREATMENT OF CARDIAC DISORDERS AND CHRONIC LUNG DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-07-01 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 CMA1 2773/4885MAPT 1028/4885HSD17B10 96/4885

“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.