Sugi Predict

Sugi Predict / Compounds / SCHEMBL30616

SCHEMBL30616

SCHEMBL30616

O=C(/C=C/c1ccc(CN2CCCC2Cc2cccnc2)cc1)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.56
▸ KCNH2 Q12809 2/20 0.56
▸ HDAC4 P56524 7/20 0.51
▸ HDAC6 Q9UBN7 7/20 0.51
▸ HDAC8 Q9BY41 6/20 0.51
▸ HDAC3 O15379 6/20 0.51
▸ HDAC2 Q92769 6/20 0.51
▸ HDAC7 Q8WUI4 5/20 0.51
▸ HDAC10 Q969S8 5/20 0.51
▸ HDAC11 Q96DB2 5/20 0.51
▸ HDAC9 Q9UKV0 5/20 0.51
▸ HDAC5 Q9UQL6 5/20 0.51
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNA7 P36544 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEF2D Q14814 1/20 0.45
▸ TBXAS1 P24557 2/20 0.44
▸ MAPT P10636 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
SCHEMBL19846 1.00 HDAC1 (0.56) HDAC1KCNH2HDAC4HDAC6HDAC8
SCHEMBL2733135 1.00 HDAC1 (0.56) HDAC1KCNH2HDAC4HDAC6HDAC8
SCHEMBL20023 0.88 HDAC1 (0.64) HDAC1KCNH2HDAC4HDAC6HDAC8
SCHEMBL2733125 0.88 HDAC1 (0.64) HDAC1KCNH2HDAC4HDAC6HDAC8
SCHEMBL29173 0.79 HDAC1 (0.52) HDAC1KCNH2HDAC4HDAC6HDAC8
SCHEMBL2734150 0.79 HDAC1 (0.52) HDAC1KCNH2HDAC4HDAC6HDAC8
SCHEMBL2734155 0.79 HDAC1 (0.52) HDAC1KCNH2HDAC4HDAC6HDAC8
SCHEMBL18565 0.77 HDAC1 (0.56) HDAC1KCNH2HDAC4HDAC6HDAC8
SCHEMBL2734193 0.77 HDAC1 (0.56) HDAC1KCNH2HDAC4HDAC6HDAC8
SCHEMBL30076 0.76 HDAC1 (0.60) HDAC1KCNH2HDAC4HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US claimed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — US claimed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 — — WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2891/4885HDAC4 10/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3187/4885HDAC4 9/4885

“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.