SCHEMBL2585825

SCHEMBL2585825

COc1c(OC(F)F)ccc(Br)c1OCc1ccc(C(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.44
MAOB P27338 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PARP1 P09874 1/20 0.41
SMPD1 P17405 1/20 0.41
HDAC3 O15379 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
HDAC4 P56524 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
HDAC1 Q13547 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL2589025 0.83 CA2 (0.46) HTTKDM4ESMN1; SMN2
SCHEMBL2588535 0.81 PTGS2 (0.36) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL2582074 0.77 TSHR (0.48) TSHRHTTKDM4ESMN1; SMN2
SCHEMBL2593760 0.77 KDM4E (0.38) PARP10MAOBPARP1MAPTALDH1A1
SCHEMBL2591532 0.75 MEN1 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2589128 0.75 PRF1 (0.46) PARP10SMPD1
SCHEMBL2591433 0.73 ALOX5AP (0.34) TUBB1MAPT
SCHEMBL2589714 0.73 ALDH1A1 (0.48) TSHRMAPTALDH1A1KDM4E
SCHEMBL2589057 0.72 ALDH1A1 (0.33) TUBB1MAPTALDH1A1
SCHEMBL2584271 0.72 ALDH1A1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 PARP10 336/4885MAOB 223/4885RXFP1 361/4885

“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.