SCHEMBL3223866

SCHEMBL3223866

O=C1C=C(c2ccc(F)cc2)CN1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
MAPK14 Q16539 3/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IKBKB O14920 1/20 0.35
NOTUM Q6P988 1/20 0.34
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
POLB P06746 2/20 0.33
HTT P42858 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
SCHEMBL3222761 0.80 HTR2C (0.40) HPGDMAPTALDH1A1GAA
SCHEMBL18190316 0.80 JAK2 (0.42) HPGDMAPTALDH1A1GAANOTUM
SCHEMBL11096436 0.79 KIF11 (0.43) NOTUM
SCHEMBL15936585 0.79 HPGD (0.56) HPGDMAPTALDH1A1GAAHTT
SCHEMBL29640774 0.77 CHRNB2 (0.40) MAPK14HPGDMAPT
SCHEMBL7973057 0.68 HSD11B1 (0.36) MAPK14HPGDMAPTALDH1A1HTT
SCHEMBL797238 0.66 ALDH1A1 (0.45) HPGDMAPTALDH1A1GAAL3MBTL1
SCHEMBL3519376 0.65 MAPK14 (0.41) MAPK14MAPTALDH1A1
SCHEMBL5233154 0.64 PTGS1 (0.36) HPGDMAPTALDH1A1NOTUMHTT
SCHEMBL27405660 0.64 GRM2 (0.38) GRM2MAPK14HPGDMAPTALDH1A1

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
US-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
US-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
WO-2008040097-A1 FURANONE COMPOUNDS AND LACTAM ANALOGUES THEREOF BIOSIGNAL LIMITED (AU) 2008-04-10 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-20100035948-A1 Furanone compounds and lactam analogues thereof FDPS, CYP2C19, MRPL21 GRM2 4193/4885MAPK14 3352/4885HPGD 97/4885

“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.