SCHEMBL12833475

SCHEMBL12833475

CCCOCCNC(=O)c1ccc2[nH]c(-c3cc(-c4cccnc4OC)ccc3O)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.44
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
PDE10A Q9Y233 2/20 0.39
PDE2A O00408 1/20 0.39
RIPK1 Q13546 1/20 0.39
KLKB1 P03952 1/20 0.39
LIPC P11150 1/20 0.38
HPSE Q9Y251 2/20 0.38
GSK3B P49841 1/20 0.37
FLT3 P36888 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL14090839 0.95 NAMPT (0.48) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833838 0.93 NAMPT (0.45) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12834471 0.93 NAMPT (0.46) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833759 0.91 NAMPT (0.49) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12834227 0.90 NAMPT (0.43) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833950 0.90 HDAC6 (0.47) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL14091103 0.90 PDE10A (0.48) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833908 0.89 NAMPT (0.44) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833806 0.88 NAMPT (0.44) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12834257 0.88 NAMPT (0.44) NAMPTHDAC6HDAC3HDAC1HDAC2

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 NAMPT 666/4885HDAC6 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.