SCHEMBL6415965

SCHEMBL6415965

CC(C)COC(=O)Nc1ccccc1C#N

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.57
GAA P10253 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 1/20 0.51
MAOB P27338 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4773228 0.84 NLRP3 (0.82) NLRP3L3MBTL1GAAALDH1A1TSHR
SCHEMBL4767657 0.81 NLRP3 (0.69) NLRP3L3MBTL1GAAALDH1A1TSHR
SCHEMBL4771934 0.81 L3MBTL1 (0.61) NLRP3L3MBTL1GAAALDH1A1TSHR
SCHEMBL514620 0.80 GAA (0.67) NLRP3L3MBTL1GAAALDH1A1TSHR
SCHEMBL4773984 0.79 NLRP3 (0.66) NLRP3L3MBTL1GAAALDH1A1TSHR
SCHEMBL31435118 0.78 NLRP3 (1.00) NLRP3L3MBTL1GAAALDH1A1TSHR
SCHEMBL20702997 0.78 NLRP3 (1.00) NLRP3L3MBTL1GAAALDH1A1TSHR
SCHEMBL11123318 0.78 SMN1; SMN2 (0.61) ALDH1A1TSHRMAOBKDM4EHTT
SCHEMBL11852070 0.77 NLRP3 (0.60) NLRP3L3MBTL1GAAALDH1A1TSHR
SCHEMBL20302610 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMAOBKDM4EHTT

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-20050261288-A1 Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORPORATION 2005-11-24 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-20050261288-A1 Tetracyclic lactam derivatives and uses thereof PARK7, GLS, IAPP NLRP3 547/4885L3MBTL1 2626/4885GAA 116/4885

“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.