Sugi Predict

Sugi Predict / Compounds / SCHEMBL30626

SCHEMBL30626

SCHEMBL30626

COC(=O)/C=C/c1ccc(CN2C[C@H](F)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
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
▸ KDM1A O60341 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MAPT P10636 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
SCHEMBL29879 0.91 KCNH2 (0.36) KCNH2HDAC1PTGDR2LMNASMN1; SMN2
SCHEMBL30308 0.90 HDAC1 (0.45) KCNH2HDAC1PTGDR2LMNASMN1; SMN2
SCHEMBL30446 0.85 HDAC1 (0.49) KCNH2HDAC1PTGDR2CA12CA1
SCHEMBL27521 0.81 HDAC1 (0.45) KCNH2HDAC1PTGDR2LMNASMN1; SMN2
SCHEMBL27520 0.81 HDAC1 (0.45) KCNH2HDAC1PTGDR2LMNASMN1; SMN2
SCHEMBL29505 0.80 LMNA (0.37) KCNH2HDAC1LMNASMN1; SMN2CYP3A4
SCHEMBL29508 0.80 LMNA (0.37) KCNH2HDAC1LMNASMN1; SMN2CYP3A4
SCHEMBL6899056 0.78 HDAC1 (0.60) KCNH2HDAC1HDAC8HDAC6
SCHEMBL29912 0.78 HDAC1 (0.60) KCNH2HDAC1HDAC8HDAC6
SCHEMBL29911 0.78 HDAC1 (0.60) KCNH2HDAC1HDAC8HDAC6

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.