SCHEMBL801047

SCHEMBL801047

COC(=O)c1nc(C)oc1CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT1 O75907 1/20 0.33
FBP1 P09467 4/20 0.33
TARBP2 Q15633 1/20 0.31
HTR1F P30939 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
S1PR4 O95977 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2720833 0.76 NPSR1 (0.44) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12451756 0.76 NPSR1 (0.44) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11829444 0.75 CES1 (0.45) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10045794 0.74 HTR1A (0.35) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2490061 0.73 POLB (0.44) NPSR1ALDH1A1KDM4EHPGDMEN1
SCHEMBL13247707 0.71 NPSR1 (0.54) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL754010 0.69 NPSR1 (0.47) NPSR1ALDH1A1KDM4EHPGDMEN1
SCHEMBL7944992 0.68 NPSR1 (0.50) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19738005 0.68 NPSR1 (0.50) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17831838 0.67 NPSR1 (0.48) NPSR1ALDH1A1KDM4EHPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 NPSR1 2943/4885ALDH1A1 2041/4885KDM4E 1388/4885

“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.