SCHEMBL3844949

SCHEMBL3844949

O=CCn1c(=O)sc2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.57
SIGMAR1 Q99720 1/20 0.48
MAPT P10636 1/20 0.43
ALPG P10696 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPY5R Q15761 11/20 0.42
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL3864419 0.88 TMEM97 (0.57) TMEM97SIGMAR1MAPTALPGRAB9A
SCHEMBL11408981 0.78 NPY5R (0.57) TMEM97NPSR1NPY5R
SCHEMBL11096616 0.78 TMEM97 (0.60) TMEM97SIGMAR1MAPTALPGRAB9A
SCHEMBL11193880 0.77 TMEM97 (0.56) TMEM97SIGMAR1NPY5RCYP3A4CYP2D6
SCHEMBL11343567 0.77 TMEM97 (0.56) TMEM97SIGMAR1NPY5RCYP3A4CYP2D6
SCHEMBL8870033 0.77 TMEM97 (0.67) TMEM97SIGMAR1MAPTALPGRAB9A
SCHEMBL2953950 0.77 TMEM97 (0.56) TMEM97SIGMAR1NPY5RCYP3A4CYP2D6
SCHEMBL11744285 0.77 TMEM97 (0.56) TMEM97SIGMAR1MAPTALPGRAB9A
SCHEMBL14199347 0.77 L3MBTL1 (0.60) RAB9ATDP1KDM4EPKML3MBTL1
SCHEMBL15283315 0.77 TMEM97 (0.63) TMEM97SIGMAR1RAB9AL3MBTL1CYP3A4

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-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ TMEM97 3780/4885SIGMAR1 2424/4885MAPT 3830/4885

“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.