Sugi Predict

Sugi Predict / Compounds / SCHEMBL29879

SCHEMBL29879

SCHEMBL29879

COC(=O)/C=C/c1ccc(CN2C[C@@H](O)C[C@@H]2Cc2c(C)nn(C)c2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL30626 0.91 KCNH2 (0.36) KCNH2HDAC1PTGDR2CA12CA1
SCHEMBL27520 0.90 HDAC1 (0.45) KCNH2HDAC1PTGDR2CYP3A4CYP2C9
SCHEMBL27521 0.90 HDAC1 (0.45) KCNH2HDAC1PTGDR2CYP3A4CYP2C9
SCHEMBL30446 0.85 HDAC1 (0.49) KCNH2HDAC1PTGDR2CA12CA1
SCHEMBL30308 0.81 HDAC1 (0.45) KCNH2HDAC1PTGDR2CYP3A4CYP2C9
SCHEMBL19820 0.78 HDAC1 (0.46) KCNH2HDAC1PTGDR2KDM1AHDAC6
SCHEMBL19821 0.78 HDAC1 (0.46) KCNH2HDAC1PTGDR2KDM1AHDAC6
SCHEMBL30076 0.75 HDAC1 (0.60) KCNH2HDAC1PTGDR2LMNAHDAC8
SCHEMBL30079 0.75 HDAC1 (0.60) KCNH2HDAC1PTGDR2LMNAHDAC8
SCHEMBL29508 0.71 LMNA (0.37) KCNH2HDAC1CYP3A4CYP2C9CYP2C19

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
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

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 KCNH2 2891/4885HDAC1 1/4885PTGDR2 1556/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 KCNH2 3187/4885HDAC1 1/4885PTGDR2 1571/4885

“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.