SCHEMBL7862734

SCHEMBL7862734

[C-]#[N+]c1ccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)c(C=O)c2)nc1OCCOC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
PDE4B Q07343 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX3 P56373 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL7864107 0.89 NPC1 (0.34) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL2527261 0.88 PDE4B (0.45) NPC1RAB9AKDM4CPDE4BPDE4A
SCHEMBL7865290 0.85 KDM4C (0.36) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL11993091 0.84 PDE4B (0.33) PDE4BPDE4APDE4CPDE4D
SCHEMBL7865625 0.82
SCHEMBL7857469 0.82 ALDH1A1 (0.32) PDE4BPDE4APDE4CPDE4D
SCHEMBL2530372 0.80 CHEK1 (0.36) NPC1RAB9AKDM4CPDE4BPDE4A
SCHEMBL7863704 0.79 PDE4B (0.31) PDE4B
SCHEMBL7865483 0.79 LIPE (0.31)
SCHEMBL11994823 0.77 PDE4B (0.46) NPC1RAB9AKDM4CPDE4BPDE4A

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-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 NPC1 1757/4885RAB9A 1885/4885KDM4C 4554/4885

“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.