SCHEMBL12833737

SCHEMBL12833737

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCc4cc(CC(C)C)no4)ccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ SLC5A7 Q9GZV3 2/20 0.36
▸ NAMPT P43490 4/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL12833826 0.92 HDAC6 (0.41) HDAC6KLKB1HDAC3HDAC1HDAC2
SCHEMBL12834003 0.91 HDAC6 (0.40) HDAC6KLKB1HDAC3HDAC1HDAC2
SCHEMBL12833930 0.90 SLC5A7 (0.42) HDAC6KLKB1HDAC3HDAC1HDAC2
SCHEMBL12833770 0.87 HDAC3 (0.40) HDAC6KLKB1HDAC3HDAC1HDAC2
SCHEMBL12833958 0.87 KLKB1 (0.43) HDAC6KLKB1HDAC3HDAC1HDAC2
SCHEMBL12833978 0.86 HPSE (0.42) HDAC6KLKB1HDAC3HDAC1HDAC2
SCHEMBL12833488 0.85 HDAC6 (0.44) HDAC6KLKB1HDAC3HDAC1HDAC2
SCHEMBL12833753 0.85 HDAC6 (0.41) HDAC6KLKB1HDAC3HDAC1HDAC2
SCHEMBL12833828 0.85 HDAC6 (0.41) HDAC6KLKB1HDAC3HDAC1HDAC2
SCHEMBL12833878 0.84 HDAC6 (0.43) HDAC6KLKB1HDAC3HDAC1HDAC2

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 HDAC6 541/4885KLKB1 2434/4885HDAC3 911/4885

“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.

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