SCHEMBL1963955

SCHEMBL1963955

N#Cc1cc(C(=O)O)ccc1N1CCC(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
HSD17B10 Q99714 3/20 0.50
POLB P06746 2/20 0.50
NR4A1 P22736 1/20 0.50
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM1A O60341 2/20 0.44
XDH P47989 1/20 0.41
USP2 O75604 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL30683864 0.85 GAA (0.60) KDM4EGAAHSD17B10POLBNR4A1
SCHEMBL24827063 0.85 GAA (0.60) KDM4EGAAHSD17B10POLBNR4A1
SCHEMBL3451490 0.82 XDH (0.48) KDM1AXDH
SCHEMBL24213941 0.82 KDM4E (0.43) KDM4EGAAHSD17B10POLBNR4A1
SCHEMBL31198918 0.76 ALDH1A1 (0.51) KDM4EGAAHSD17B10POLBNR4A1
SCHEMBL12581974 0.75 ALDH1A1 (0.48) GAAMEN1ALDH1A1MAPTHPGD
SCHEMBL2420526 0.75 AR (0.53) KDM4EGAAHSD17B10POLBNR4A1
SCHEMBL13123328 0.73 XDH (0.49) KDM4EXDH
SCHEMBL15630558 0.72 GAA (0.51) KDM4EGAAHSD17B10POLBNR4A1
SCHEMBL3554546 0.72 KDM4E (0.51) KDM4EGAAHSD17B10POLBNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 KDM4E 3611/4885GAA 3989/4885HSD17B10 3474/4885

“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.