SCHEMBL6517583

SCHEMBL6517583

Cn1c(=O)n(Cc2cccnc2)c(=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.58
HIF1A Q16665 2/20 0.55
PKM P14618 2/20 0.54
MAPK10 P53779 1/20 0.54
GABRA5 P31644 3/20 0.53
GABRA1 P14867 2/20 0.53
GRIN1 Q05586 8/20 0.53
GRIN2B Q13224 8/20 0.53
SLC9A1 P19634 1/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL11223477 0.86 GABRA1 (0.58) PARGGABRA5GABRA1GRIN1GRIN2B
SCHEMBL19555085 0.84 MAPK8 (0.66) PARGSLC9A1
SCHEMBL7653703 0.81 PKM (0.48) PKMMAPK10GABRA5GABRA1
SCHEMBL17825280 0.79 PARG (0.57) PARGGABRA5GABRA1GRIN1GRIN2B
SCHEMBL27605941 0.79 PARG (0.60) PARGHIF1AGRIN1GRIN2BALDH1A1
SCHEMBL17241596 0.78 TSHR (0.62) SLC9A1ALDH1A1
SCHEMBL6509732 0.78 MEN1 (0.60) SLC9A1
SCHEMBL6978785 0.77 TSHR (0.51) PKMMAPK10GABRA5GABRA1
SCHEMBL19785223 0.76 PARG (0.58) PARGSLC9A1
SCHEMBL3419641 0.75 PKM (0.58) PKMMAPK10GABRA5GABRA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 PARG 4866/4885HIF1A 2128/4885PKM 2902/4885

“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.