SCHEMBL3374281

SCHEMBL3374281

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA3 P34903 2/20 0.36
NR4A2 P43354 4/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DGAT1 O75907 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HIF1A Q16665 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
GABRA5 P31644 1/20 0.32
GABRA2 P47869 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL3448797 0.83 CNR1 (0.37) BRD4GABRA1GABRG2GABRB3GABRA3
SCHEMBL13348455 0.83 BRD4 (0.38) BRD4GABRA1GABRG2GABRB3GABRA3
SCHEMBL14081665 0.82 CYP1A2 (0.39) CA1CA2CA9DGAT1KDM4E
SCHEMBL13348363 0.81 BRD4 (0.43) BRD4GABRA1GABRG2GABRB3GABRA3
SCHEMBL3449876 0.80 MAPT (0.32) BRD4GABRA1GABRG2GABRB3GABRA3
SCHEMBL3450042 0.80 CA1 (0.35) CA1CA2CA9MEN1KMT2A
SCHEMBL23779852 0.79 HIF1A (0.37) HPGDCA1CA2CA9DGAT1
SCHEMBL3447652 0.78 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2A
SCHEMBL16650651 0.77 CSF1R (0.40) BRD4CA1CA2CA9KDM4E
SCHEMBL25035049 0.76 HIF1A (0.43) ALDH1A1HPGDCA1CA2CA9

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD BRD4 2556/4885GABRA1 1879/4885GABRG2 2318/4885

“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.