SCHEMBL3058587

SCHEMBL3058587

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.48
MTNR1B P49286 7/20 0.48
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HDAC3 O15379 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL3053168 0.97 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CHDAC3
SCHEMBL3057715 0.97 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CHDAC3
SCHEMBL3058774 0.89 MTNR1A (0.49) MTNR1AMTNR1BHDAC3NCOR2ALDH1A1
SCHEMBL8078336 0.88 MTNR1A (0.43) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL3060093 0.88 MTNR1A (0.48) MTNR1AMTNR1BHDAC3NCOR2ALDH1A1
SCHEMBL3061249 0.84 MTNR1A (0.55) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL3055224 0.84 MTNR1A (0.40) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL8080132 0.82 MTNR1A (0.54) MTNR1AMTNR1BHTR2AHTR2CHDAC3
SCHEMBL8069899 0.81 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CHDAC3
SCHEMBL3052273 0.81 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CHDAC3

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 3211/4885HTR2A 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.