SCHEMBL5167306

SCHEMBL5167306

CC1(C)COC(c2cccc(B(Oc3cccc4cccnc34)C3CC3)c2)=N1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
HRH3 Q9Y5N1 1/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 2/20 0.32
ROCK1 Q13464 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5166381 0.87 KDM4E (0.40) KDM4EHRH3MAPTALDH1A1LMNA
SCHEMBL30571008 0.82 HRH3 (0.37) KDM4EHRH3MAPTALDH1A1LMNA
SCHEMBL5165604 0.82 KDM4E (0.36) KDM4EHRH3MAPTALDH1A1LMNA
SCHEMBL25243696 0.82 HRH3 (0.37) KDM4EHRH3MAPTALDH1A1LMNA
SCHEMBL1186317 0.75 RAB9A (0.44) KDM4EDDB1CRBNMAPTLMNA
SCHEMBL8442831 0.74 KDM4E (0.47) KDM4EHRH3MAPTLMNAHTT
SCHEMBL1621903 0.68 KDM4E (0.50) KDM4EHRH3MAPTLMNAHTT
SCHEMBL5180886 0.68 KDM4E (0.50) KDM4EHRH3MAPTLMNAHTT
SCHEMBL471881 0.67 KDM4E (0.62) KDM4EHRH3MAPTLMNAHTT
SCHEMBL6300425 0.66 RAB9A (0.54) KDM4EHRH3MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771182-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-04-11 EP disclosed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 US disclosed
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 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-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 KDM4E 4785/4885HRH3 3/4885DDB1 3150/4885

“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.