SCHEMBL30308

SCHEMBL30308

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.45
KCNH2 Q12809 4/20 0.45
HDAC6 Q9UBN7 8/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC3 O15379 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL27521 0.91 HDAC1 (0.45) HDAC1KCNH2HDAC6HDAC2HDAC11
SCHEMBL27520 0.91 HDAC1 (0.45) HDAC1KCNH2HDAC6HDAC2HDAC11
SCHEMBL30626 0.90 KCNH2 (0.36) HDAC1KCNH2HDAC6HDAC8PTGDR2
SCHEMBL29508 0.90 LMNA (0.37) HDAC1KCNH2HDAC6HDAC2HDAC11
SCHEMBL29505 0.90 LMNA (0.37) HDAC1KCNH2HDAC6HDAC2HDAC11
SCHEMBL30076 0.84 HDAC1 (0.60) HDAC1KCNH2HDAC6HDAC2HDAC11
SCHEMBL30079 0.84 HDAC1 (0.60) HDAC1KCNH2HDAC6HDAC2HDAC11
SCHEMBL29879 0.81 KCNH2 (0.36) HDAC1KCNH2HDAC6HDAC8PTGDR2
SCHEMBL19820 0.78 HDAC1 (0.46) HDAC1KCNH2HDAC6HDAC2HDAC11
SCHEMBL19821 0.78 HDAC1 (0.46) HDAC1KCNH2HDAC6HDAC2HDAC11

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 HDAC1 1/4885KCNH2 2891/4885HDAC6 11/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3187/4885HDAC6 10/4885

“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.