SCHEMBL14090572

SCHEMBL14090572

COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)NC(CO)CO)cc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.47
HDAC3 O15379 6/20 0.44
HDAC1 Q13547 6/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC2 Q92769 4/20 0.44
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
PRSS1 P07477 1/20 0.42
CHEK2 O96017 2/20 0.42
IKBKB O14920 1/20 0.41
CARM1 Q86X55 1/20 0.41
PDE10A Q9Y233 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 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
SCHEMBL14090471 0.96 HDAC6 (0.47) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14090539 0.93 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14090577 0.92 HDAC6 (0.45) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14090549 0.92 HDAC6 (0.45) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL1509583 0.91 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL1509537 0.91 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12834422 0.90 HDAC6 (0.44) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12834509 0.90 HDAC6 (0.44) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL1509594 0.89 HDAC6 (0.50) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12834425 0.89 HDAC6 (0.39) HDAC6HDAC3HDAC1HDAC8HDAC2

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 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.