SCHEMBL4020558

SCHEMBL4020558

Nc1ccc(Oc2ccccc2OC(F)(F)F)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HSD11B1 P28845 2/20 0.35
MPL P40238 1/20 0.35
NR1I2 O75469 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
MCHR1 Q99705 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33

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
SCHEMBL4028874 0.81 BCAT2 (0.53) BCAT2KMT2AMEN1NPC1TSHR
SCHEMBL13745349 0.81 KMT2A (0.51) KMT2AMEN1NPC1TSHRRAB9A
SCHEMBL20886080 0.79 BCAT2 (0.47) BCAT2NPC1RAB9ASMN1; SMN2FEN1
SCHEMBL10480597 0.78 BCAT2 (0.58) BCAT2KMT2AMEN1NPC1TSHR
SCHEMBL10480572 0.75 BCAT2 (0.58) BCAT2KMT2AMEN1NPC1TSHR
SCHEMBL4027665 0.75 MEN1 (0.79) BCAT2KMT2AMEN1NPC1TSHR
SCHEMBL28425403 0.72 BCAT2 (0.59) BCAT2KMT2AMEN1NPC1TSHR
SCHEMBL4654446 0.72 RXRA (0.47) HCAR1HSD11B1MPLRXRARXRB
SCHEMBL10762482 0.71 KDM4E (0.51) KMT2AMEN1HPGDRXRARXRB
SCHEMBL25344922 0.71 BCAT2 (0.53) BCAT2KMT2AMEN1NPC1TSHR

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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R BCAT2 685/4885KMT2A 3540/4885MEN1 1477/4885

“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.