SCHEMBL3307780

SCHEMBL3307780

O=c1[nH]nc(COCc2ccccc2)n1-c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
VCP P55072 1/20 0.36
GRM2 Q14416 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 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
SCHEMBL2513747 0.77 TSHR (0.47) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL22225040 0.76 TSHR (0.40) NPC1RAB9AL3MBTL1MEN1TP53
SCHEMBL22593160 0.76 TSHR (0.46) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL22322658 0.74 KMT2A (0.44) NPC1RAB9AL3MBTL1MEN1GAA
SCHEMBL18587492 0.73 NPC1 (0.43) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL1133465 0.72 HSP90AA1 (0.56) HSP90AA1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL13903092 0.72 TDP1 (0.49) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL5832141 0.70
SCHEMBL3304987 0.69 PPARA (0.65) GAAPPARDPPARA
SCHEMBL13913066 0.67 HRH4 (0.49) NPC1RAB9AL3MBTL1MEN1GAA

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-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
EP-2129667-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-12-09 EP disclosed
WO-2008103574-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-08-28 WO disclosed
WO-2008103574-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-08-28 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-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS PPARA, PPARG, PPARD HSP90AA1 3049/4885NPC1 546/4885RAB9A 3629/4885

“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.