SCHEMBL12833759

SCHEMBL12833759

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.49
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FLT3 P36888 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TET3 O43151 1/20 0.41
TET2 Q6N021 1/20 0.41
TET1 Q8NFU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RIPK1 Q13546 1/20 0.41
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PRSS12 P56730 1/20 0.40
KLKB1 P03952 1/20 0.40
PTAFR P25105 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL12834471 0.95 NAMPT (0.46) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834222 0.92 NAMPT (0.46) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834456 0.92 NAMPT (0.46) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833950 0.92 HDAC6 (0.47) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833838 0.92 NAMPT (0.45) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL14091103 0.92 PDE10A (0.48) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833475 0.91 NAMPT (0.44) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833908 0.91 NAMPT (0.44) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834469 0.91 NAMPT (0.45) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833824 0.91 NAMPT (0.48) 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 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 NAMPT 666/4885HDAC3 911/4885HDAC1 826/4885

“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.