SCHEMBL14737290

SCHEMBL14737290

CNC(=O)c1ccc(COc2c(-c3cccc4c3COC4=O)ccc(OC)c2OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
PRF1 P14222 1/20 0.40
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4D Q08499 2/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 2/20 0.39
RAB9A P51151 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
HDAC1 Q13547 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38

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
SCHEMBL14737971 0.89 KMT2A (0.40) ALDH1A1KDM4EMAPTPRF1KMT2A
SCHEMBL7711040 0.87 NPC1 (0.42) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL2591335 0.86 KDM4E (0.46) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL14738082 0.83 PRF1 (0.54) ALDH1A1KDM4EMAPTPRF1PDE4D
SCHEMBL2591613 0.82 MAOB (0.39) KDM4EPDE4D
SCHEMBL2583912 0.80 HDAC4 (0.41) ALDH1A1KDM4EMAPTKMT2APDE4D
SCHEMBL14735825 0.80 HDAC4 (0.42) ALDH1A1KDM4EMAPTKMT2APDE4D
SCHEMBL2593941 0.80 PDE4D (0.43) ALDH1A1KDM4EMAPTPDE4DNPC1
SCHEMBL14734794 0.79 HPGD (0.45) ALDH1A1KDM4EKMT2APDE4DHDAC2
SCHEMBL7717628 0.78 KCNJ1 (0.38) ALDH1A1KDM4EMAPTPRF1KMT2A

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-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US 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 (1 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A ALDH1A1 824/4885KDM4E 1593/4885MAPT 4737/4885

“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.