SCHEMBL3060093

SCHEMBL3060093

O=C(CCCCCCCNC(=O)c1cn2c3c(cccc13)CCC2)NOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.48
MTNR1B P49286 6/20 0.48
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 2/20 0.41
NCOR2 Q9Y618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3058774 0.99 MTNR1A (0.49) MTNR1AMTNR1BHDAC1HDAC2HDAC3
SCHEMBL3057715 0.92 MTNR1A (0.47) MTNR1AMTNR1BHDAC3NCOR2BCHE
SCHEMBL3053168 0.91 MTNR1A (0.47) MTNR1AMTNR1BHDAC3NCOR2ALDH1A1
SCHEMBL3052990 0.89 MTNR1A (0.48) MTNR1AMTNR1BHDAC1HDAC2KDM4E
SCHEMBL3058587 0.88 MTNR1A (0.48) MTNR1AMTNR1BHDAC3NCOR2ALDH1A1
SCHEMBL3052273 0.86 MTNR1A (0.47) MTNR1AMTNR1BHDAC3NCOR2KDM4E
SCHEMBL8069899 0.86 MTNR1A (0.47) MTNR1AMTNR1BHDAC3NCOR2KDM4E
SCHEMBL3058925 0.84 MTNR1A (0.55) MTNR1AMTNR1BHDAC1HDAC2HDAC3
SCHEMBL3048611 0.84 MTNR1A (0.55) MTNR1AMTNR1BHDAC1HDAC2HDAC3
SCHEMBL3064878 0.84 MTNR1A (0.55) MTNR1AMTNR1BHDAC1HDAC2HDAC3

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-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
WO-2009026446-A9 HDAC INHIBITORS ARQULE, INC. (US) 2010-03-11 WO disclosed
WO-2009026446-A2 HDAC INHIBITORS ARQULE, INC. (US) 2009-02-26 WO 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 MTNR1A 2791/4885MTNR1B 3211/4885HDAC1 2/4885

“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.