SCHEMBL14090786

SCHEMBL14090786

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NC4CCC(=O)N(C)C4)ccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 8/20 0.42
CARM1 Q86X55 2/20 0.39
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
PFKFB3 Q16875 1/20 0.39
GSK3B P49841 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
CRBN Q96SW2 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL12834192 0.89 MAPK14 (0.47) CARM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1509532 0.88 CARM1 (0.43) CARM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833757 0.87 SMN1; SMN2 (0.45) CARM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833745 0.87 SMN1; SMN2 (0.47) CARM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833909 0.86 HDAC3 (0.37) CARM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090737 0.86 HDAC6 (0.39) CARM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833879 0.85 HDAC6 (0.41) CARM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833424 0.85 PDE10A (0.44) CARM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833445 0.84 CARM1 (0.47) CARM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12834499 0.84 HPGDS (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6

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 4 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
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 ACSS2 3251/4885CARM1 785/4885HDAC3 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.