SCHEMBL1345404

SCHEMBL1345404

CCOC(=O)C(=CNCCCCO)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DHODH Q02127 3/20 0.34
GAA P10253 4/20 0.34
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
STAT1 P42224 1/20 0.32

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
SCHEMBL1345402 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL30542821 0.97 CYP2D6 (0.39) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL26363230 0.97 CYP2D6 (0.39) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL5262226 0.87 CYP2D6 (0.40) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL5262223 0.87 CYP2D6 (0.40) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL4879151 0.86 CES2 (0.42) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL4879158 0.86 CES2 (0.42) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL29281063 0.86 CYP2D6 (0.43) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL10539251 0.85 ALDH1A1 (0.39) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL10539245 0.85 ALDH1A1 (0.39) SMN1; SMN2CYP2D6ALDH1A1MAPTMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 EP disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
EP-2383271-A1 Aminoquinolones as GSK-3 Inhibitors Kyorin Pharmaceutical Co., Ltd. (JP) 2011-11-02 EP disclosed
EP-2383271-A1 Aminoquinolones as GSK-3 Inhibitors Kyorin Pharmaceutical Co., Ltd. (JP) 2011-11-02 EP disclosed
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP SMN1; SMN2 2797/4885CYP2D6 2378/4885ALDH1A1 3185/4885

“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.