Sugi Predict

Sugi Predict / Compounds / SCHEMBL244848

SCHEMBL244848

SCHEMBL244848

[N]CCCCCCOCC(F)(F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ HDAC1 Q13547 6/20 0.36
▸ HDAC2 Q92769 6/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KCNA3 P22001 1/20 0.31
▸ TACR1 P25103 1/20 0.31

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
SCHEMBL2008716 0.83 ADRB2 (0.42) ADRB2ADRB1HDAC1HDAC2MEN1
SCHEMBL1722311 0.83 CES1 (0.49) ADRB2ADRB1HDAC1HDAC2ALDH1A1
SCHEMBL16367914 0.83 ADRB2 (0.40) ADRB2ADRB1HDAC1HDAC2MEN1
SCHEMBL244835 0.83 KIF11 (0.42) ADRB2ADRB1HDAC1HDAC2
SCHEMBL16367918 0.83 CES1 (0.49) ADRB2ADRB1HDAC1HDAC2ALDH1A1
SCHEMBL14850528 0.83 ADRB2 (0.40) ADRB2ADRB1HDAC1HDAC2MEN1
Ammonia Solution, Strong SCHEMBL1723857 0.82 CES1 (0.47) ADRB2ADRB1HDAC1HDAC2ALDH1A1
SCHEMBL14850524 0.80 ADRB2 (0.42) ADRB2ADRB1HDAC1HDAC2MEN1
SCHEMBL8670825 0.80 HDAC1 (0.50) ADRB2ADRB1HDAC1HDAC2HDAC3
SCHEMBL2008810 0.79 ADRB2 (0.39) ADRB2ADRB1HDAC1HDAC2MEN1

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
US-8524908-B2 Process for manufacturing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one ALMIRALL, S.A. (ES) 2013-09-03 — — US disclosed
EP-2406227-A1 PROCESS FOR MANUFACTURING 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY) HEXYL]AMINO}-1- HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE. Almirall S.A. (ES) 2012-01-18 — — EP disclosed
US-20120004414-A1 PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2012-01-05 — — US disclosed
WO-2010102831-A1 PROCESS FOR MANUFACTURING 5-(2-{[6-(2,2-DIFLUORO-2-PHENYIETHOXY) HEXYL]AMINO}-L- HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE. ALMIRALL, S.A. (ES) 2010-09-16 — — WO disclosed
EP-2228368-A1 Process for manufacturing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy) hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one Almirall, S.A. (ES) 2010-09-15 — — EP 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-20120004414-A1 PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE HAX1, CYP4B1, CYP4X1 ADRB2 751/4885ADRB1 945/4885HDAC1 3672/4885

“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.