SCHEMBL12833776

SCHEMBL12833776

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCCN(C)C4CCCC4)ccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TET3 O43151 1/20 0.43
TET2 Q6N021 1/20 0.43
TET1 Q8NFU7 1/20 0.43
NAMPT P43490 5/20 0.42
KMT2A Q03164 1/20 0.41
TP53 P04637 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAD52 P43351 1/20 0.40
UBE2N P61088 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GSK3B P49841 1/20 0.37
KLKB1 P03952 1/20 0.37
CARM1 Q86X55 1/20 0.37

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
SCHEMBL12834456 0.87 NAMPT (0.46) L3MBTL1KDM4ETET3TET2TET1
SCHEMBL12833759 0.87 NAMPT (0.49) L3MBTL1KDM4ETET3TET2TET1
SCHEMBL12833950 0.87 HDAC6 (0.47) L3MBTL1KDM4ETET3TET2TET1
SCHEMBL12834222 0.85 NAMPT (0.46) L3MBTL1KDM4ETET3TET2TET1
SCHEMBL12833757 0.85 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL12833838 0.85 NAMPT (0.45) KDM4ENAMPTSMN1; SMN2HDAC3HDAC1
SCHEMBL12834471 0.85 NAMPT (0.46) L3MBTL1KDM4ETET3TET2TET1
SCHEMBL12833935 0.85 CHEK1 (0.46) NAMPTKMT2AMAPTGSK3BCARM1
SCHEMBL12833745 0.85 SMN1; SMN2 (0.47) KDM4ETP53MAPTSMN1; SMN2HDAC3
SCHEMBL12833752 0.85 GSK3B (0.49) NAMPTHDAC3HDAC1HDAC2HDAC8

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 L3MBTL1 4423/4885KDM4E 2432/4885TET3 2275/4885

“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.