SCHEMBL3049919

SCHEMBL3049919

O=C(O)Cc1ccc(NC(=O)c2cn3c4c(cccc24)CCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
FFAR1 O14842 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.46
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
CYP26A1 O43174 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42

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
SCHEMBL3059737 0.90 MTNR1A (0.44) NR1H4MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL8081516 0.86 TP53 (0.47) MTNR1AMTNR1B
SCHEMBL3057632 0.81 MTNR1A (0.44) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL3053596 0.80 EP300 (0.42) MTNR1AMTNR1BCNR1CNR2
SCHEMBL3054218 0.78 HTT (0.49) NR1H4MTNR1AMTNR1BCNR2
SCHEMBL9303578 0.78 HTR2A (0.63) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL11254220 0.76 CNR1 (0.47) MTNR1AMTNR1BCNR1CNR2HTR2A
SCHEMBL1395799 0.76 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL2261530 0.75 HTR2A (0.48) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL2020434 0.75 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR2C

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 NR1H4 758/4885FFAR1 2125/4885PTGDR2 4277/4885

“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.