SCHEMBL8204558

SCHEMBL8204558

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.66
▸ HDAC8 Q9BY41 11/20 0.66
▸ HDAC6 Q9UBN7 11/20 0.66
▸ HDAC3 O15379 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC10 Q969S8 1/20 0.60
▸ EGFR P00533 2/20 0.51
▸ PDGFRB P09619 2/20 0.51
▸ KDR P35968 2/20 0.51
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45

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
SCHEMBL13907074 0.97 HDAC1 (0.67) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8213390 0.96 HDAC1 (0.67) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8210452 0.96 HDAC1 (0.67) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8212589 0.94 HDAC1 (0.60) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL3959502 0.89 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8213302 0.89 HDAC1 (0.65) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8212585 0.89 HDAC1 (0.63) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL3958066 0.88 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL3957454 0.88 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8212579 0.88 HDAC1 (0.66) HDAC1HDAC8HDAC6HDAC3HDAC2

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.

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