SCHEMBL1697802

SCHEMBL1697802

O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2c1OCC1(CO2)CSC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.59
PDE4D Q08499 8/20 0.44
PDE4B Q07343 7/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PDE4C Q08493 6/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
ABCB11 O95342 1/20 0.33
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL1697797 0.91 PDE4A (0.71) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL14935972 0.89 PDE4A (0.59) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL1697793 0.88 PDE4A (0.72) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL1697760 0.87 PDE4A (0.66) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL14936198 0.84 PDE4A (0.83) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL1697743 0.77 PDE4A (0.70) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL1697753 0.77 PDE4A (0.71) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL1697765 0.76 PDE4A (0.73) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL14935849 0.76 PDE4A (0.61) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL1697786 0.75 PDE4A (0.71) PDE4APDE4DPDE4BPDE4CABCB11

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
US-9637499-B2 Benzodioxole or benzodioxepine heterocyclic compounds as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2017-05-02 US disclosed
US-9273064-B2 Benzodioxole or benzodioxepine heterocyclic compounds as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2016-03-01 US disclosed
US-20160022657-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2016-01-28 US disclosed
US-20150111915-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2015-04-23 US disclosed
US-8980905-B2 Benzodioxole or benzodioxepine heterocyclic compounds as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-03-17 US disclosed
US-20130123291-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-05-16 US disclosed
EP-2585469-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-05-01 EP disclosed
WO-2011160632-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-12-29 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-20150111915-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE4A, PDE2A PDE4A 2/4885PDE4D 16/4885PDE4B 6/4885
US-20160022657-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE4A, PDE2A PDE4A 2/4885PDE4D 16/4885PDE4B 6/4885
US-20130123291-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE4A, PDE2A PDE4A 2/4885PDE4D 18/4885PDE4B 6/4885

“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.