SCHEMBL8205675

SCHEMBL8205675

COc1ccc(N(C)c2nc(NCCC(=O)NO)nc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.60
HDAC8 Q9BY41 11/20 0.60
HDAC6 Q9UBN7 11/20 0.60
TUBB4A P04350 1/20 0.60
TUBB P07437 1/20 0.60
TUBA3C P0DPH7 1/20 0.60
TUBA1B P68363 1/20 0.60
TUBA4A P68366 1/20 0.60
TUBB4B P68371 1/20 0.60
TUBB3 Q13509 1/20 0.60
TUBB2A Q13885 1/20 0.60
TUBB8 Q3ZCM7 1/20 0.60
TUBA3E Q6PEY2 1/20 0.60
TUBA1A Q71U36 1/20 0.60
TUBA1C Q9BQE3 1/20 0.60
TUBB6 Q9BUF5 1/20 0.60
TUBB2B Q9BVA1 1/20 0.60
TUBB1 Q9H4B7 1/20 0.60
EGFR P00533 2/20 0.55
PDGFRB P09619 2/20 0.55

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
SCHEMBL8213678 0.94 HDAC1 (0.63) HDAC1HDAC8HDAC6TUBB4ATUBB
SCHEMBL8214254 0.93 HDAC1 (0.64) HDAC1HDAC8HDAC6TUBB4ATUBB
SCHEMBL4739337 0.92 HDAC1 (0.64) HDAC1HDAC8HDAC6TUBB4ATUBB
SCHEMBL4737773 0.92 HDAC1 (0.64) HDAC1HDAC8HDAC6TUBB4ATUBB
SCHEMBL4742777 0.92 HDAC1 (0.64) HDAC1HDAC8HDAC6TUBB4ATUBB
SCHEMBL3119021 0.85 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3959041 0.85 TUBB4A (0.59) HDAC1HDAC8HDAC6TUBB4ATUBB
SCHEMBL3956005 0.85 TUBB4A (0.59) HDAC1HDAC8HDAC6TUBB4ATUBB
SCHEMBL3954478 0.85 TUBB4A (0.59) HDAC1HDAC8HDAC6TUBB4ATUBB
SCHEMBL3120924 0.85 TUBB4A (0.61) HDAC1HDAC8HDAC6TUBB4ATUBB

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
WO-2009036057-A1 ANTIPROLIFERATIVE AGENTS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 HDAC1 1/4885HDAC8 4/4885HDAC6 2/4885

“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.