SCHEMBL12833908

SCHEMBL12833908

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
KLKB1 P03952 1/20 0.40
FLT3 P36888 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40

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 0.93 NAMPT (0.46) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833838 0.93 NAMPT (0.45) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833950 0.93 HDAC6 (0.47) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833759 0.91 NAMPT (0.49) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12834257 0.91 NAMPT (0.44) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833806 0.91 NAMPT (0.44) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL14091103 0.91 PDE10A (0.48) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12834227 0.90 NAMPT (0.43) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12834155 0.90 NAMPT (0.43) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL14090839 0.90 NAMPT (0.48) 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 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 666/4885HDAC6 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.