SCHEMBL3057617

SCHEMBL3057617

CC(=O)CCCCCNC(=O)c1cn2c3c(cccc13)CCC2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.59
MTNR1B P49286 7/20 0.59
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL3048558 0.91 MTNR1A (0.54) MTNR1AMTNR1BKDM4EKMT2AALDH1A1
SCHEMBL3058490 0.91 MTNR1A (0.54) MTNR1AMTNR1BKDM4EKMT2AALDH1A1
SCHEMBL3064510 0.90 MTNR1A (0.54) MTNR1AMTNR1BKDM4EKMT2AALDH1A1
SCHEMBL8080586 0.90 MTNR1A (0.57) MTNR1AMTNR1BKDM4EKMT2AALDH1A1
SCHEMBL3058846 0.90 MTNR1A (0.54) MTNR1AMTNR1BKDM4EKMT2AALDH1A1
SCHEMBL3058925 0.89 MTNR1A (0.55) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3048611 0.89 MTNR1A (0.55) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3064878 0.89 MTNR1A (0.55) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3067588 0.88 MTNR1A (0.56) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3066049 0.86 MTNR1A (0.50) MTNR1AMTNR1BKDM4EKMT2AALDH1A1

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 6 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

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 3211/4885KDM4E 117/4885

“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.