SCHEMBL12833770

SCHEMBL12833770

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCc4cc(-c5ccccn5)no4)ccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ NAMPT P43490 4/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ GRK2 P25098 1/20 0.36
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL14531477 0.92 ROCK2 (0.35) HDAC1KLKB1DGAT2PDE10AROCK2
SCHEMBL12833978 0.91 HPSE (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12834183 0.89 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833826 0.89 HDAC6 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833930 0.88 SLC5A7 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12834003 0.88 HDAC6 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833737 0.87 HDAC6 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833858 0.85 SMN1; SMN2 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14090703 0.85 NAMPT (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833503 0.84 TSHR (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6

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 HDAC3 911/4885HDAC1 826/4885HDAC2 954/4885

“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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