SCHEMBL12833978

SCHEMBL12833978

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCc4cc(-c5cccnc5)no4)ccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ KLKB1 P03952 1/20 0.40
▸ DGAT2 Q96PD7 4/20 0.38
▸ NAMPT P43490 4/20 0.38
▸ PDE10A Q9Y233 2/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ BRAF P15056 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
SCHEMBL12833770 0.91 HDAC3 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833914 0.89 MAPT (0.42) HPSEHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833826 0.88 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833930 0.88 SLC5A7 (0.42) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12834003 0.87 HDAC6 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833737 0.86 HDAC6 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12834012 0.85 NAMPT (0.43) HPSEHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833923 0.85 HDAC6 (0.46) HPSEHDAC6HDAC3HDAC1HDAC2
SCHEMBL14090733 0.84 HDAC6 (0.41) HPSEHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833503 0.84 TSHR (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8

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 HPSE 1373/4885HDAC6 541/4885HDAC3 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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