SCHEMBL3184231

SCHEMBL3184231

O=C(O)c1ncccc1OB(c1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
KCNH2 Q12809 1/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
PRKD3 O94806 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKD1 Q15139 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
SYK P43405 1/20 0.40
RECQL P46063 1/20 0.39
AURKA O14965 1/20 0.39
JAK2 O60674 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
SCHEMBL3184235 0.81 SMN1; SMN2 (0.42) PDE4BSMN1; SMN2KCNH2TP53KDM4E
SCHEMBL1138640 0.78 PDE4B (0.53) PDE4BSMN1; SMN2KCNH2TP53KDM4E
SCHEMBL1138512 0.74 ALDH1A1 (0.37) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL1138033 0.72 PDE4B (0.53) PDE4BSMN1; SMN2KCNH2ALDH1A1MEN1
SCHEMBL447506 0.70 KDM4E (0.42) TP53KDM4ETSHRALDH1A1MEN1
SCHEMBL5043172 0.69 POLB (0.60) SMN1; SMN2TP53KDM4ETSHRALDH1A1
SCHEMBL2479793 0.68 MAPT (0.53) SMN1; SMN2TP53KDM4ETSHRALDH1A1
SCHEMBL1138693 0.68 MEN1 (0.39) TP53KDM4ETSHRALDH1A1MEN1
SCHEMBL30406784 0.67 MAPT (0.51) SMN1; SMN2TP53KDM4ETSHRALDH1A1
SCHEMBL26908045 0.67 MAPT (0.51) SMN1; SMN2TP53KDM4ETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-20060009422-A1 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. 2006-01-12 US 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-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 PDE4B 4059/4885SMN1; SMN2 4705/4885KCNH2 4489/4885

“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.