SCHEMBL16516711

SCHEMBL16516711

COc1ccc(/C=C/C(=O)NO)c(OCc2cccc3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 15/20 0.67
▸ PARP15 Q460N3 1/20 0.52
▸ PARP10 Q53GL7 1/20 0.52
▸ HDAC3 O15379 3/20 0.51
▸ HDAC1 Q13547 3/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.50
▸ LY96 Q9Y6Y9 1/20 0.50
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ BACE1 P56817 1/20 0.47

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
SCHEMBL16516663 0.92 PARP10 (0.60) HDAC8PARP15PARP10HDAC3HDAC1
SCHEMBL16516560 0.83 HDAC8 (0.87) HDAC8HDAC3HDAC1NCOR2LY96
SCHEMBL16516744 0.80 HDAC8 (1.00) HDAC8HDAC3HDAC1NCOR2HDAC6
SCHEMBL21064506 0.79 HDAC8 (0.77) HDAC8HDAC3HDAC1NCOR2HDAC6
SCHEMBL16516643 0.78 HDAC8 (1.00) HDAC8HDAC3HDAC1NCOR2HDAC6
SCHEMBL16516237 0.78 HDAC8 (0.89) HDAC8HDAC3HDAC1NCOR2HDAC6
SCHEMBL18542270 0.77 LY96 (0.74) HDAC8HDAC3HDAC1NCOR2HDAC6
SCHEMBL12149861 0.77 PARP10 (0.67) PARP15PARP10
SCHEMBL18538446 0.77 HDAC8 (1.00) HDAC8HDAC3HDAC1NCOR2HDAC6
SCHEMBL21064515 0.77 HDAC8 (1.00) HDAC8HDAC3HDAC1NCOR2HDAC6

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
EP-3036234-A1 DERIVATIVES OF 1 H-PYRAZOLO[3,4-B]PYRIDINE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Galapagos NV (BE) 2016-06-29 — — EP disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 — — US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 — — US disclosed
WO-2015024905-A1 DERIVATIVES OF 1 H-PYRAZOLO[3,4-B]PYRIDINE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-02-26 — — WO 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-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS FGF2, CCNA2, VEGFA HDAC8 3367/4885PARP15 544/4885PARP10 672/4885

“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.

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