SCHEMBL13087730

SCHEMBL13087730

O=C(CNC(=O)Nc1cn2c3c(cccc13)CCC2)NOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
IMPDH2 P12268 1/20 0.36
HDAC3 O15379 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL13087853 0.93 MTNR1A (0.46) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL3052273 0.89 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL8069899 0.89 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL13087729 0.83 MTNR1A (0.50) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL3058774 0.76 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1HTTHDAC3
SCHEMBL3060093 0.76 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1HDAC3NCOR2
SCHEMBL3058587 0.76 MTNR1A (0.48) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL3053168 0.75 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL3057715 0.74 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CHDAC3
SCHEMBL3057582 0.74 HTT (0.46) MTNR1AMTNR1BALDH1A1HTTMAPT

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 3211/4885HTR2A 2994/4885

“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.