SCHEMBL9983017

SCHEMBL9983017

Cc1ccccc1-c1ncc(N(C)C(C)C(N)=O)c(=O)n1Cc1cncc(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
USP1 O94782 3/20 0.34
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HTT P42858 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
SCHEMBL2211667 0.80 PSEN1 (0.36) GRIN1GRIN2BUSP1
SCHEMBL2211677 0.80 PSEN1 (0.36) GRIN1GRIN2BUSP1
SCHEMBL9982892 0.79 FPR2 (0.35) FPR2SCN9AHTT
SCHEMBL9982933 0.76 GRM2 (0.37) FPR2SCN9AHTT
SCHEMBL27786403 0.75 HDAC6 (0.34) USP1
SCHEMBL9982966 0.72 GRIN1 (0.36) GRIN1GRIN2B
SCHEMBL2211419 0.71 GRIN1 (0.35) GRIN1GRIN2BUSP1
SCHEMBL2209976 0.71 GRIN1 (0.35) GRIN1GRIN2BUSP1
SCHEMBL1324380 0.70 BIRC2 (0.34) GRIN1GRIN2B
SCHEMBL1324377 0.70 BIRC2 (0.34) GRIN1GRIN2B

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-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 GPBAR1 601/4885GRIN1 3077/4885GRIN2B 3299/4885

“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.