SCHEMBL12833992

SCHEMBL12833992

COc1ncccc1NC(=O)c1ccc2[nH]c(-c3cc(-c4cccnc4OC)ccc3O)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HPSE Q9Y251 5/20 0.42
ADORA2A P29274 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
MAPT P10636 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
LMNA P02545 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPK14 Q16539 1/20 0.40
SMO Q99835 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PDE10A Q9Y233 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL12833823 0.93 MAPT (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833972 0.93 MAPT (0.52) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090945 0.93 NPSR1 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833771 0.93 PRSS12 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090973 0.93 HDAC6 (0.43) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090718 0.92 MAPT (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833890 0.91 ADORA2A (0.42) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833800 0.91 HPSE (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090606 0.90 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12834182 0.90 HDAC3 (0.45) 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 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 HDAC6 541/4885HDAC3 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.