SCHEMBL7865290

SCHEMBL7865290

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
P2RX3 P56373 3/20 0.31
CHEK1 O14757 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
SCHEMBL7865463 0.88 KDM4C (0.37) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL2525533 0.86 PDE4B (0.41) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL7862734 0.85 NPC1 (0.34) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL11993094 0.80 KDM4E (0.32) L3MBTL1
SCHEMBL7865626 0.79 POLB (0.36)
SCHEMBL2530598 0.78 KDM4C (0.37) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL7862871 0.77 LMNA (0.39) KMT2AL3MBTL1
SCHEMBL11994821 0.76 PDE4B (0.41) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL7865488 0.75 ALDH1A1 (0.32) L3MBTL1
SCHEMBL7865299 0.74 PRKDC (0.35)

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 KDM4C 4554/4885NPC1 1757/4885RAB9A 1885/4885

“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.