SCHEMBL2591532

SCHEMBL2591532

CCOc1c(Br)ccc(OC(F)F)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TUBB1 Q9H4B7 4/20 0.34
TUBB4A P04350 1/20 0.34

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
SCHEMBL2584271 0.88 ALDH1A1 (0.41) MEN1KMT2ARAB9AHTTALOX5AP
SCHEMBL2591433 0.86 ALOX5AP (0.34) ALOX5APFEN1TUBB1MAPT
SCHEMBL2589057 0.85 ALDH1A1 (0.33) ALOX5APFEN1TUBB1MAPT
SCHEMBL2590931 0.84 ALOX5AP (0.33) MEN1KMT2AHTTALOX5APFEN1
SCHEMBL2589714 0.83 ALDH1A1 (0.48) MEN1KMT2ANPSR1KDM4EMAPT
SCHEMBL2582074 0.81 TSHR (0.48) MEN1KMT2AHTTHSD17B10SMN1; SMN2
SCHEMBL2591340 0.79 NUDT1 (0.35) MEN1KMT2AHTTALOX5APFEN1
SCHEMBL2584147 0.77 CNR2 (0.34)
SCHEMBL2591187 0.77 PDE4D (0.46) MEN1KMT2AHSD17B10SMN1; SMN2LMNA
SCHEMBL22208768 0.77 ALOX5AP (0.44) HTTALOX5APFEN1MAPK1SMN1; SMN2

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 MEN1 3420/4885KMT2A 2533/4885RAB9A 1492/4885

“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.