Sugi Predict

Sugi Predict / Compounds / SCHEMBL19820

SCHEMBL19820

SCHEMBL19820

Cc1nn(-c2ccccc2)c(C)c1C[C@H]1C[C@H](O)CN1Cc1ccc(/C=C/C(=O)NO)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.46
▸ KCNH2 Q12809 5/20 0.46
▸ HDAC11 Q96DB2 1/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ RECQL P46063 1/20 0.41
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ P2RX7 Q99572 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL19821 1.00 HDAC1 (0.46) HDAC1KCNH2HDAC11PTGDR2RECQL
SCHEMBL27520 0.87 HDAC1 (0.45) HDAC1KCNH2HDAC11PTGDR2HDAC2
SCHEMBL27521 0.87 HDAC1 (0.45) HDAC1KCNH2HDAC11PTGDR2HDAC2
SCHEMBL28207 0.82 HDAC1 (0.38) HDAC1KCNH2HDAC11PTGDR2HDAC2
SCHEMBL2733731 0.82 HDAC1 (0.38) HDAC1KCNH2HDAC11PTGDR2HDAC2
SCHEMBL30308 0.78 HDAC1 (0.45) HDAC1KCNH2HDAC11PTGDR2HDAC2
SCHEMBL2734164 0.78 HDAC1 (0.73) HDAC1KCNH2HDAC11HDAC2HDAC6
SCHEMBL28361 0.78 HDAC1 (0.73) HDAC1KCNH2HDAC11HDAC2HDAC6
SCHEMBL2734159 0.78 HDAC1 (0.73) HDAC1KCNH2HDAC11HDAC2HDAC6
SCHEMBL28362 0.78 HDAC1 (0.73) HDAC1KCNH2HDAC11HDAC2HDAC6

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 10 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
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-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 2891/4885HDAC11 2/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3187/4885HDAC11 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.