Sugi Predict

Sugi Predict / Compounds / SCHEMBL29344

SCHEMBL29344

SCHEMBL29344

O=C(C=Cc1ccc(CN2C[C@H](O)C[C@@H]2Cn2cc(-c3ccccc3)nn2)cc1)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC11 Q96DB2 6/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ HDAC1 Q13547 11/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ HDAC2 Q92769 8/20 0.43
▸ HDAC6 Q9UBN7 7/20 0.43
▸ HDAC4 P56524 6/20 0.43
▸ HDAC5 Q9UQL6 6/20 0.43
▸ HDAC3 O15379 6/20 0.43
▸ HDAC8 Q9BY41 6/20 0.43
▸ HDAC7 Q8WUI4 5/20 0.43
▸ HDAC10 Q969S8 5/20 0.43
▸ HDAC9 Q9UKV0 5/20 0.43
▸ GBA1 P04062 2/20 0.42
▸ CYP19A1 P11511 2/20 0.41

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
SCHEMBL29343 1.00 HDAC11 (0.48) HDAC11MEN1CASP3KMT2ASENP8
SCHEMBL29377 0.91 HDAC1 (0.47) HDAC11HDAC1HDAC2HDAC6HDAC4
SCHEMBL29376 0.91 HDAC1 (0.47) HDAC11HDAC1HDAC2HDAC6HDAC4
SCHEMBL30284 0.82 KDR (0.41) HDAC11MEN1KMT2AHDAC1HDAC2
SCHEMBL3439437 0.82 MEN1 (0.62) HDAC11MEN1CASP3KMT2ASENP8
SCHEMBL28956 0.75 HDAC1 (0.42) HDAC11KMT2AHDAC1KCNH2HDAC2
SCHEMBL2734184 0.75 HDAC1 (0.42) HDAC11KMT2AHDAC1KCNH2HDAC2
SCHEMBL3439435 0.74 MEN1 (0.65) HDAC11MEN1CASP3KMT2ASENP8
SCHEMBL2128745 0.73 HDAC2 (0.64) HDAC11MEN1CASP3KMT2ASENP8
SCHEMBL2128746 0.73 HDAC2 (0.64) HDAC11MEN1CASP3KMT2ASENP8

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 8 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
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 — — EP claimed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 — — WO 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
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 — — EP 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

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 HDAC11 2/4885MEN1 1407/4885CASP3 608/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC11 2/4885MEN1 1566/4885CASP3 545/4885

“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.