SCHEMBL3083531

SCHEMBL3083531

O=C(OC(=O)C1=NCCO1)C1=NCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL25181753 0.78 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27532139 0.78 PDE4D (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1030035 0.76
SCHEMBL29287902 0.76 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28845996 0.74
SCHEMBL13154302 0.74
SCHEMBL1060745 0.74
SCHEMBL28834436 0.74
SCHEMBL27919763 0.74
SCHEMBL1060747 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-09-09 US disclosed
US-7667055-B2 Processes for the production of polycyclic fused ring compounds FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-02-23 US disclosed
CN-101243095-A Method for producing polycyclic fused ring compound UNIV FLORIDA STATE RES FOUND (US) 2008-08-13 CN disclosed
EP-1919926-A2 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS Florida State University Research Foundation, Inc. (US) 2008-05-14 EP disclosed
WO-2006135655-A2 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
US-20060281934-A1 Processes for the production of polycyclic fused ring compounds FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-14 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 (2 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-20060281934-A1 Processes for the production of polycyclic fused ring compounds COASY, PARG, PIN4 HDAC3 147/4885HDAC4 315/4885HDAC1 336/4885
US-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS COASY, PARG, PIN4 HDAC3 147/4885HDAC4 315/4885HDAC1 336/4885

“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.