SCHEMBL2589018

SCHEMBL2589018

COCOc1c(Br)ccc(O)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
TUBB4A P04350 4/20 0.34
TUBB P07437 4/20 0.34
TUBA3C P0DPH7 4/20 0.34
TUBA1B P68363 4/20 0.34
TUBA4A P68366 4/20 0.34
TUBB4B P68371 4/20 0.34
TUBB3 Q13509 4/20 0.34
TUBB2A Q13885 4/20 0.34
TUBB8 Q3ZCM7 4/20 0.34
TUBA3E Q6PEY2 4/20 0.34
TUBA1A Q71U36 4/20 0.34
TUBA1C Q9BQE3 4/20 0.34
TUBB6 Q9BUF5 4/20 0.34
TUBB2B Q9BVA1 4/20 0.34
TUBB1 Q9H4B7 4/20 0.34
TPMT P51580 1/20 0.34
CA1 P00915 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL29290384 0.82 CA2 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14736781 0.80 TUBB1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24186469 0.80 BACE1 (0.44) BACE1CA1ALOX15ALOX12PTPN1
SCHEMBL30286841 0.80 BACE1 (0.44) BACE1CA1ALOX15ALOX12PTPN1
SCHEMBL6899392 0.78 MAPT (0.40) TUBB1PTPN1F2RL3NQO2TDP1
SCHEMBL2591598 0.77 ERN1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2583910 0.76 NCOA1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31085196 0.73 ALOX5AP (0.38) TPMTCA1ALOX15ALOX12DRD2
SCHEMBL69925 0.73 TDP1 (0.52) CA1ALOX15ALOX12CA12CA7
SCHEMBL29403778 0.73 TDP1 (0.52) CA1ALOX15ALOX12CA12CA7

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 5 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 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
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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 (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 BACE1 423/4885TUBB4A 2630/4885TUBB 2863/4885

“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.