SCHEMBL16135540

SCHEMBL16135540

COc1cc(CNC(=O)c2c(Cl)ccnc2OCC2CC2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ RIPK1 Q13546 1/20 0.44
▸ WDR5 P61964 5/20 0.44
▸ MMP13 P45452 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CTSD P07339 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16135557 0.93 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL16135693 0.89 PPARG (0.44) WDR5MMP13ALDH1A1MAPK1
SCHEMBL16135592 0.89 WDR5 (0.46) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL16135584 0.89 WDR5 (0.46) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL16135629 0.88 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL16135701 0.87 HTR2A (0.41) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL16135583 0.87 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DRIPK1
SCHEMBL16135599 0.86 MT-CO2 (0.41) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL16135603 0.85 CHRM4 (0.42) PDE4APDE4BPDE4CPDE4DRIPK1
SCHEMBL16135705 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970124-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF UNIV LELAND STANFORD JUNIOR (US) 2019-05-22 — — EP disclosed
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-12 — — US disclosed
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-11-09 — — US disclosed
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-11-09 — — US disclosed
US-9670162-B2 Mitochondrial aldehyde dehyrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2017-06-06 — — US disclosed
US-9670162-B2 Mitochondrial aldehyde dehyrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2017-06-06 — — US disclosed
US-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-04-21 — — US disclosed
US-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-04-21 — — US disclosed
WO-2014160185-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-02 — — 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-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, SHMT2 PDE4A 807/4885PDE4B 775/4885PDE4C 937/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD PDE4A 686/4885PDE4B 654/4885PDE4C 851/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD PDE4A 686/4885PDE4B 654/4885PDE4C 851/4885

“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.

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