SCHEMBL7122724

SCHEMBL7122724

CC(=O)NC1OC(=O)C(c2ccc(C3=CCNCC3)cc2)C1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.40
NAMPT P43490 1/20 0.39
HTR2C P28335 5/20 0.37
SIGMAR1 Q99720 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CSF1R P07333 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
WNT3A P56704 1/20 0.33
BRD4 O60885 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
P2RY14 Q15391 1/20 0.32
FTO Q9C0B1 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL7124582 1.00 QDPR (0.40) QDPRNAMPTHTR2CSIGMAR1ESR1
SCHEMBL7508337 0.76 QDPR (0.39) QDPRNAMPTWNT3A
SCHEMBL7117906 0.76 QDPR (0.39) QDPRNAMPTWNT3A
SCHEMBL7118426 0.76 CCNT1 (0.39) NAMPTWNT3A
SCHEMBL7118665 0.76 CCNT1 (0.39) NAMPTWNT3A
SCHEMBL8310327 0.76
SCHEMBL7126216 0.74 NAMPT (0.49) NAMPTWNT3ABRD4
SCHEMBL7126174 0.71 QDPR (0.42) QDPRNAMPTHTR2CSIGMAR1ESR1
SCHEMBL27374023 0.70 QDPR (0.41) QDPRNAMPTHTR2CSIGMAR1ESR1
SCHEMBL8451797 0.70 MAPKAPK2 (0.39) QDPRNAMPTHTR2CSIGMAR1ESR1

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 2 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
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 QDPR 83/4885NAMPT 4578/4885HTR2C 370/4885

“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.