SCHEMBL12833991

SCHEMBL12833991

CCc1nc(CNC(=O)c2ccc3[nH]c(-c4cc(-c5cccnc5OC)ccc4O)nc3c2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ 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 0.41
▸ NAMPT P43490 4/20 0.39
▸ PDE10A Q9Y233 3/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ LIPC P11150 1/20 0.36

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
SCHEMBL14090733 0.94 HDAC6 (0.41) KDM4EALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL12833753 0.90 HDAC6 (0.41) KDM4EHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833923 0.89 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833826 0.89 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833503 0.87 TSHR (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833729 0.87 KLKB1 (0.44) KDM4EHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833828 0.86 HDAC6 (0.41) KDM4EHDAC6HDAC3HDAC1HDAC2
SCHEMBL14091103 0.86 PDE10A (0.48) KDM4EHDAC6HDAC3HDAC1HDAC2
SCHEMBL12834183 0.86 HDAC3 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833958 0.85 KLKB1 (0.43) 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 6 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
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 — — WO 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 KDM4E 2432/4885ALOX15 362/4885APOBEC3A 3135/4885

“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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