SCHEMBL5189062

SCHEMBL5189062

NC(=O)c1coc2c1C(=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RORC P51449 1/20 0.33
PARP1 P09874 2/20 0.32
HPGD P15428 1/20 0.32
MAPK8 P45983 1/20 0.30
CSNK1A1 P48729 1/20 0.30
LIMK1 P53667 1/20 0.30
MAP2K1 Q02750 1/20 0.30
PRKAA1 Q13131 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL760652 0.84 NAMPT (0.42) NAMPTALDH1A1SMN1; SMN2NTRK3NTRK2
SCHEMBL5444456 0.83 NAMPT (0.41) NAMPTALDH1A1SMN1; SMN2NTRK3NTRK2
SCHEMBL6762871 0.81 NAMPT (0.40) NAMPTALDH1A1SMN1; SMN2NTRK3NTRK2
SCHEMBL5236831 0.79 L3MBTL1 (0.42) NAMPTALDH1A1SMN1; SMN2NTRK3NTRK2
SCHEMBL4899883 0.75 BRD4 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6948898 0.73 MAOB (0.36) NAMPTNTRK3NTRK2
SCHEMBL7371057 0.72 BRD4 (0.44) ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL266599 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL2314210 0.70 ALDH1A1 (0.39) NAMPTALDH1A1SMN1; SMN2HPGD
SCHEMBL19568230 0.68 ALDH1A1 (0.40) NAMPTALDH1A1SMN1; SMN2HPGD

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
CN-112204009-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-05-07 CN disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 NAMPT 2649/4885ALDH1A1 2549/4885SMN1; SMN2 3554/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 NAMPT 2649/4885ALDH1A1 2549/4885SMN1; SMN2 3554/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 NAMPT 2722/4885ALDH1A1 2482/4885SMN1; SMN2 3041/4885

“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.