SCHEMBL6037898

SCHEMBL6037898

Cn1cc(CNCc2ccc(CCCNC(=O)COCc3ccc(F)cc3)cc2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.58
LMNA P02545 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HASPIN Q8TF76 5/20 0.49
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6037895 0.82 MEN1 (0.47) TP53LMNARXFP1KMT2AMEN1
SCHEMBL6038081 0.80 SSTR3 (0.52) LMNAKMT2AHDAC3HDAC4HDAC1
SCHEMBL5277774 0.77 LMNA (0.51) LMNAKMT2AMEN1KDM4EGAA
SCHEMBL6038097 0.76 KMT2A (0.54) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL6038389 0.76 HDAC3 (0.50) LMNAKMT2AMEN1KDM4EHDAC3
SCHEMBL5324907 0.75 BCHE (0.63) TP53LMNARXFP1KMT2AMEN1
SCHEMBL6038106 0.75 SPR (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5283411 0.75 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5325209 0.74 LMNA (0.51) LMNAKMT2AMEN1GAA
SCHEMBL6038041 0.73 CCR3 (0.60) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 TP53 2551/4885LMNA 851/4885RXFP1 1098/4885

“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.