SCHEMBL7120934

SCHEMBL7120934

CC(=O)N[C@@H]1OC(=O)C(c2ccc(C3=CCN(c4ncccn4)CC3)cc2)=C1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
SCN9A Q15858 3/20 0.37
SLC6A7 Q99884 2/20 0.36
AOC3 Q16853 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTR1A P08908 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL7122721 0.90 TRPV1 (0.40) TRPV1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL7121302 0.87 NAMPT (0.34) SCN9AALDH1A1KDM4EMAPTTDP1
SCHEMBL7123785 0.81 MEN1 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTTDP1
SCHEMBL7121304 0.80 CCNT1 (0.40) ALDH1A1NAMPT
SCHEMBL7123783 0.77 NAMPT (0.51) NAMPT
SCHEMBL7118661 0.76 NAMPT (0.37) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7127949 0.75 NAMPT (0.43) KDM4EMAPTTDP1NAMPT
SCHEMBL7127713 0.75 BRD4 (0.36)
SCHEMBL7126174 0.74 QDPR (0.42) NAMPT
SCHEMBL7118393 0.73 NAMPT (0.35) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166684-A1 3-phenyl-furan-(5H)-2-one and dihydrofuran-2-one derivatives as antibacterial agents SYNGENTA LIMITED (GB) 2003-09-04 US disclosed
EP-0912561-B1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2002-12-04 EP disclosed
US-6350775-B1 AGAINST GRAMPOSITIVE BACTERIA ZENECA LIMITED (GB) 2002-02-26 US disclosed
US-6110936-A A BACTERICIDE TREATING A BACTERIAL INFECTION IN A WARM BLOODED ANIMAL ZENECA LIMITED (GB) 2000-08-29 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-20030166684-A1 3-phenyl-furan-(5H)-2-one and dihydrofuran-2-one derivatives as antibacterial agents CBR1, CBR3, CYP8B1 TRPV1 3749/4885SCN9A 2913/4885SLC6A7 2990/4885

“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.