SCHEMBL5166054

SCHEMBL5166054

Cc1cc(B(Oc2cccc3cccnc23)c2ccc(C#N)cc2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 7/20 0.42
MAPT P10636 7/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.38
HPGDS O60760 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5166117 0.93 GAA (0.49) GAANPSR1ALDH1A1POLBMEN1
SCHEMBL5163999 0.86 MEN1 (0.44) GAANPSR1ALDH1A1POLBMEN1
SCHEMBL5165794 0.82 MEN1 (0.48) NPSR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5166158 0.82 MEN1 (0.44) GAANPSR1ALDH1A1POLBMEN1
SCHEMBL5166277 0.79 NPSR1 (0.52) GAANPSR1ALDH1A1POLBMEN1
SCHEMBL1185846 0.78 MEN1 (0.41) GAANPSR1ALDH1A1POLBMEN1
Oxyquinoline SCHEMBL5166047 0.77 METAP2 (0.44) GAANPSR1ALDH1A1POLBMEN1
SCHEMBL30571026 0.76 NPSR1 (0.40) GAANPSR1ALDH1A1POLBMEN1
SCHEMBL5165646 0.76 MEN1 (0.43) GAANPSR1ALDH1A1POLBMEN1
SCHEMBL4169850 0.75 LMNA (0.51) GAANPSR1ALDH1A1POLBMEN1

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 GAA 325/4885NPSR1 1237/4885ALDH1A1 2879/4885

“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.