SCHEMBL4080311

SCHEMBL4080311

C#Cc1cccc(Nc2ncnc3cc(NC(=O)c4cccc(/C=C/C(=O)Nc5ccccc5NC(=O)OC(C)(C)C)c4)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 7/20 0.58
▸ HDAC1 Q13547 7/20 0.58
▸ HDAC4 P56524 4/20 0.58
▸ HDAC7 Q8WUI4 4/20 0.58
▸ HDAC2 Q92769 4/20 0.58
▸ HDAC10 Q969S8 4/20 0.58
▸ HDAC11 Q96DB2 4/20 0.58
▸ HDAC8 Q9BY41 4/20 0.58
▸ HDAC6 Q9UBN7 4/20 0.58
▸ HDAC9 Q9UKV0 4/20 0.58
▸ HDAC5 Q9UQL6 4/20 0.58
▸ EGFR P00533 14/20 0.47
▸ ERBB2 P04626 3/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ ERBB3 P21860 1/20 0.44
▸ ERBB4 Q15303 1/20 0.44

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
SCHEMBL4080314 1.00 HDAC3 (0.58) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL3664256 0.90 HDAC3 (0.63) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL4091545 0.88 HDAC3 (0.74) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL4086216 0.87 HDAC3 (0.76) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL4086219 0.87 HDAC3 (0.76) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL4090565 0.84 HDAC3 (0.76) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL6527786 0.83 HDAC3 (0.75) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL4082374 0.82 HDAC3 (0.74) HDAC3HDAC1HDAC4HDAC7HDAC2
Water SCHEMBL3659986 0.78 HDAC3 (0.75) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL4081258 0.78 EGFR (0.79) HDAC3HDAC1HDAC4HDAC7HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 — — US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 — — EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 HDAC3 18/4885HDAC1 1/4885HDAC4 17/4885

“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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