SCHEMBL6878281

SCHEMBL6878281

COc1ccc(N(CCCN2C(=O)c3ccccc3C2=O)Cc2c(Cl)cncc2Cl)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.53
PDE4D Q08499 15/20 0.53
PDE4B Q07343 14/20 0.53
PDE4C Q08493 14/20 0.53
MAOB P27338 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL6879299 0.83 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL987046 0.82 PDE4A (0.51) PDE4APDE4DPDE4BPDE4C
SCHEMBL985446 0.82 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL17300559 0.82 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL985445 0.81 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL1164704 0.81 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL12794958 0.77 PDE4D (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL19607392 0.77 PDE4D (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL4404449 0.76 PDE4A (0.53) PDE4APDE4DPDE4BPDE4C
SCHEMBL7808590 0.72 PDE4B (0.55) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464651-B1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-04-20 EP disclosed
US-8933073-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2015-01-13 US disclosed
US-8933073-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2015-01-13 US disclosed
US-8865662-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 US disclosed
US-8865662-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 US disclosed
US-20140142100-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2014-05-22 US disclosed
US-20140142100-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2014-05-22 US disclosed
US-20120277174-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2012-11-01 US disclosed
US-20120277174-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2012-11-01 US disclosed
WO-2011018510-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-02-17 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 (2 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-20120277174-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4D 5/4885PDE4B 2/4885
US-20140142100-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4D 5/4885PDE4B 2/4885

“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.