SCHEMBL16135545

SCHEMBL16135545

O=C(NCc1ccc(OC(F)(F)F)c(F)c1)c1c(Cl)ccnc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 6/20 0.51
▸ P2RX7 Q99572 6/20 0.49
▸ SCN1A P35498 2/20 0.47
▸ SCN5A Q14524 2/20 0.47
▸ SCN9A Q15858 2/20 0.47
▸ SCN2A Q99250 2/20 0.47
▸ SCN8A Q9UQD0 2/20 0.47
▸ SCN10A Q9Y5Y9 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ROCK2 O75116 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ WDR5 P61964 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ NAMPT P43490 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
SCHEMBL16135561 0.87 LMNA (0.50) CDK2GSK3BWDR5
SCHEMBL16135684 0.84 KCNQ3 (0.44) WDR5
SCHEMBL16135708 0.84 P2RX7 (0.48) SCN3AP2RX7SCN1ASCN5ASCN9A
SCHEMBL16135709 0.83 P2RX7 (0.47) SCN3AP2RX7SCN1ASCN5ASCN9A
SCHEMBL16135549 0.81 ROCK2 (0.48) ROCK2WDR5
SCHEMBL27931735 0.78 P2RX7 (0.51) SCN3AP2RX7SCN1ASCN5ASCN9A
SCHEMBL16135541 0.78 CHRM4 (0.43) WDR5
SCHEMBL27931748 0.78 L3MBTL1 (0.58) SCN3AP2RX7SCN1ASCN5ASCN9A
SCHEMBL16135566 0.77 CHRM4 (0.50) ROCK2CDK2GSK3BWDR5
SCHEMBL16135689 0.77 LMNA (0.49) CDK2GSK3BWDR5

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 SCN3A 2437/4885P2RX7 4468/4885SCN1A 2314/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD SCN3A 1822/4885P2RX7 4062/4885SCN1A 1508/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD SCN3A 1822/4885P2RX7 4062/4885SCN1A 1508/4885

“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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