SCHEMBL7121302

SCHEMBL7121302

CC(=O)N[C@@H]1OC(=O)C(c2ccc(C3=CCN(c4ccncc4)CC3)cc2)=C1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN9A Q15858 1/20 0.32
LIMK1 P53667 1/20 0.31
LIMK2 P53671 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31

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
SCHEMBL7120934 0.87 TRPV1 (0.38) NAMPTKDM4EMAPTALDH1A1TDP1
SCHEMBL7122721 0.85 TRPV1 (0.40) NAMPTKDM4EMAPTALDH1A1HTR1A
SCHEMBL7121304 0.79 CCNT1 (0.40) NAMPTALDH1A1MMP2
SCHEMBL7123785 0.78 MEN1 (0.41) NAMPTKDM4EMAPTALDH1A1TDP1
SCHEMBL7123783 0.76 NAMPT (0.51) NAMPT
SCHEMBL8643572 0.75 ADRB1 (0.40) SIGMAR1ALDH1A1TSHR
SCHEMBL7118661 0.75 NAMPT (0.37) NAMPTMAPTALDH1A1TSHR
SCHEMBL7127713 0.74 BRD4 (0.36)
SCHEMBL7126174 0.73 QDPR (0.42) NAMPTSIGMAR1
SCHEMBL7118393 0.73 NAMPT (0.35) NAMPTMAPTALDH1A1TSHR

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 NAMPT 4578/4885SIGMAR1 81/4885KDM4E 1074/4885

“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.