SCHEMBL2097555

SCHEMBL2097555

CCNCCCC(=O)Nc1cc(C)cc(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.64
HDAC1 Q13547 5/20 0.64
HDAC2 Q92769 5/20 0.64
HDAC10 Q969S8 5/20 0.64
HDAC11 Q96DB2 5/20 0.64
HDAC8 Q9BY41 5/20 0.64
HDAC6 Q9UBN7 5/20 0.64
HDAC4 P56524 4/20 0.64
HDAC7 Q8WUI4 4/20 0.64
HDAC9 Q9UKV0 4/20 0.64
HDAC5 Q9UQL6 4/20 0.64
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.46

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
SCHEMBL12371901 0.83 HDAC8 (0.83) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2096051 0.80 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1754887 0.80 KMT2A (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7129534 0.80 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14675977 0.79 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL27742472 0.78 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2098793 0.76 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2098798 0.76 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL23080120 0.75 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL12240557 0.75 CYP3A4 (0.59) HDAC3HDAC1HDAC2HDAC10HDAC11

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 1110/4885HDAC1 1416/4885HDAC2 1603/4885

“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.