SCHEMBL16135692

SCHEMBL16135692

COc1ccc(CNC(=O)c2c(Cl)ccnc2OCC2CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ MAPK8 P45983 1/20 0.38
▸ PTGES O14684 2/20 0.37
▸ GPR6 P46095 1/20 0.37
▸ WDR5 P61964 2/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ LMNA P02545 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
SCHEMBL16135701 0.86 HTR2A (0.41) PDE4DCHRM4PDE4APDE4BPDE4C
SCHEMBL16135557 0.84 PDE4A (0.48) PDE4DCHRM4PDE4APDE4BPDE4C
SCHEMBL16135550 0.83 CHRM4 (0.46) CHRM4MAPK8WDR5PDE10ALMNA
SCHEMBL16135540 0.82 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CWDR5
SCHEMBL16135629 0.81 PDE4A (0.48) PDE4DPDE4APDE4BPDE4CWDR5
SCHEMBL16135592 0.81 WDR5 (0.46) PDE4DCHRM4PDE4APDE4BPDE4C
SCHEMBL16135584 0.81 WDR5 (0.46) PDE4DCHRM4PDE4APDE4BPDE4C
SCHEMBL16135583 0.80 PDE4A (0.41) PDE4DCHRM4PDE4APDE4BPDE4C
SCHEMBL16135603 0.79 CHRM4 (0.42) PDE4DCHRM4PDE4APDE4BPDE4C
SCHEMBL16135628 0.77 HDAC1 (0.41) PDE4DCHRM4PDE4APDE4BPDE4C

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 PDE4D 918/4885CHRM4 4416/4885PDE4A 807/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD PDE4D 636/4885CHRM4 4082/4885PDE4A 686/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD PDE4D 636/4885CHRM4 4082/4885PDE4A 686/4885

“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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