SCHEMBL3383182

SCHEMBL3383182

CCOC(=O)CCCCCCC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 6/20 0.50
LMNA P02545 5/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
ESRRB O95718 1/20 0.49
ESR1 P03372 1/20 0.49
ESRRA P11474 1/20 0.49
ESRRG P62508 1/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GPR119 Q8TDV5 3/20 0.48
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
NAMPT P43490 1/20 0.47
HPGD P15428 1/20 0.45

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
SCHEMBL3417602 0.87 ESRRB (0.55) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL1520800 0.84 HDAC1 (0.66) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL3379697 0.83 HDAC1 (0.64) MAPTLMNAALDH1A1NPSR1TSHR
SCHEMBL3383995 0.82 HDAC1 (0.63) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL1742370 0.82 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL7662288 0.81 MAPT (0.61) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL3380350 0.81 GSK3B (0.53) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL14711349 0.80 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL22119712 0.80 MAPT (0.53) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL4723356 0.79 MAPT (0.50) SMN1; SMN2MEN1KMT2ACYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 SMN1; SMN2 3671/4885MEN1 2635/4885KMT2A 52/4885

“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.