SCHEMBL705659

SCHEMBL705659

COC(=O)C(NCCCO)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.40
CYP2D6 P10635 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
ROCK2 O75116 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL706972 0.87 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL1967807 0.84 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MMP9
SCHEMBL19700231 0.79 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL1968165 0.78 ESR1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MMP9
SCHEMBL29009204 0.77 ROCK2 (0.46) MEN1KMT2AALDH1A1MAPK1CYP2D6
SCHEMBL12825100 0.77 HDAC3 (0.43) MEN1KMT2AALDH1A1MAPK1CYP2D6
SCHEMBL2044614 0.77 ESR1 (0.45) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL5223574 0.77 MEN1 (0.70) MEN1KMT2AALDH1A1CYP2D6TSHR
Hydrochloric Acid SCHEMBL5224712 0.75 MEN1 (0.68) MEN1KMT2AALDH1A1CYP2D6TSHR
SCHEMBL513457 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1CYP2D6

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-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8124636-B2 Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 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-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 SMN1; SMN2 2224/4885MEN1 507/4885KMT2A 2297/4885

“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.