SCHEMBL3064878

SCHEMBL3064878

O=C(CCCCCCNC(=O)c1cn2c3c(cccc13)CCC2)NO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.55
MTNR1B P49286 6/20 0.55
HDAC1 Q13547 9/20 0.54
HDAC2 Q92769 9/20 0.54
HDAC6 Q9UBN7 3/20 0.51
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48

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
SCHEMBL3058925 1.00 MTNR1A (0.55) MTNR1AMTNR1BHDAC1HDAC2HDAC6
SCHEMBL3048611 1.00 MTNR1A (0.55) MTNR1AMTNR1BHDAC1HDAC2HDAC6
SCHEMBL3067588 0.99 MTNR1A (0.56) MTNR1AMTNR1BHDAC1HDAC2HDAC6
SCHEMBL3054181 0.90 MTNR1A (0.53) MTNR1AMTNR1BHDAC1HDAC2HDAC6
SCHEMBL3056854 0.90 MTNR1A (0.53) MTNR1AMTNR1BHDAC1HDAC2HDAC6
SCHEMBL3048558 0.90 MTNR1A (0.54) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3058490 0.90 MTNR1A (0.54) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL8080132 0.89 MTNR1A (0.54) MTNR1AMTNR1BHDAC1HDAC2HDAC6
SCHEMBL3057617 0.89 MTNR1A (0.59) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3058846 0.87 MTNR1A (0.54) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US claimed
CN-101835778-A Hdac inhibitor ARQULE INC 2010-09-15 CN claimed
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
CN-101835778-A Hdac inhibitor ARQULE INC 2010-09-15 CN 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.