SCHEMBL3052990

SCHEMBL3052990

O=C(NCCCCCCCCNOCc1ccccc1)c1cn2c3c(cccc13)CCC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.48
MTNR1B P49286 7/20 0.48
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 3/20 0.41
ALOX12 P18054 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL3060093 0.89 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL3058774 0.88 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL3058490 0.83 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL3048558 0.83 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL3058846 0.81 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL3064510 0.81 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL3057715 0.81 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL3057582 0.81 HTT (0.46) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL3057617 0.81 MTNR1A (0.59) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL3053168 0.80 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1HTT

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-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 MTNR1A 2791/4885MTNR1B 3211/4885ALDH1A1 667/4885

“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.