SCHEMBL2098798

SCHEMBL2098798

CCNCCCC(=O)Nc1cc(C)ccc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.68
HDAC4 P56524 2/20 0.68
HDAC1 Q13547 2/20 0.68
HDAC7 Q8WUI4 2/20 0.68
HDAC2 Q92769 2/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
HDAC9 Q9UKV0 2/20 0.68
HDAC5 Q9UQL6 2/20 0.68
POLB P06746 3/20 0.55
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 3/20 0.52
NLRP3 Q96P20 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2098793 0.89 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28531851 0.82 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14426831 0.81 GAA (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2096051 0.78 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13752250 0.78 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2009980 0.78 MEN1 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14292042 0.77 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14935007 0.77 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2097696 0.77 HDAC1 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4001716 0.77 ALDH1A1 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221206-A1 Compounds Derived From Lidocaine, Pharmaceutical Compositions, Use And Method Of Treatment, Prevention Or Inhibition Of Disease FUNDÇÃO OSWALDO CRUZ-FIOCRUZ (BR) 2008-09-11 US claimed
US-8163803-B2 less anesthetic activity, but with more anti-inflammatory and spasmolytic activity; asthma, rhinitis, allergic urticaria, chronic lung inflammation associated with eosinophilia, following the example of atopic asthma and chronic intestinal inflammation, as colitis for instance Fundação Oswaldo Cruz—FIOCRUZ (BR) 2012-04-24 US disclosed
US-20080221206-A1 Compounds Derived From Lidocaine, Pharmaceutical Compositions, Use And Method Of Treatment, Prevention Or Inhibition Of Disease FUNDÇÃO OSWALDO CRUZ-FIOCRUZ (BR) 2008-09-11 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 (1 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-20080221206-A1 Compounds Derived From Lidocaine, Pharmaceutical Compositions, Use And Method Of Treatment, Prevention Or Inhibition Of Disease LTA, LCT, LTC4S HDAC3 1110/4885HDAC4 3126/4885HDAC1 1416/4885

“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.