SCHEMBL22400217

SCHEMBL22400217

CC(C)(C)OC(=O)NCc1ccc(-c2cnn[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MAPT P10636 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HPN P05981 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ XBP1 P17861 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ SDCBP O00560 1/20 0.42
▸ SDC2 P34741 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ GRM2 Q14416 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL18664406 0.86 BRD4 (0.48) NAMPTL3MBTL1HDAC1
SCHEMBL20497328 0.80 CYP1A2 (0.41) TDP1HDAC1AKT1HDAC6LMNA
SCHEMBL3180689 0.79 L3MBTL1 (0.61) NAMPTL3MBTL1MAPTTDP1HDAC1
SCHEMBL24088159 0.78 L3MBTL1 (0.50) NAMPTL3MBTL1MAPTTDP1HDAC1
SCHEMBL30473404 0.77 KDM4E (0.47) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL18664517 0.76 L3MBTL1 (0.51) NAMPTL3MBTL1MAPTTDP1HDAC1
SCHEMBL506891 0.76 CYP17A1 (0.61) NAMPTL3MBTL1HDAC1GAASDCBP
SCHEMBL2567630 0.76 HDAC1 (0.57) NAMPTL3MBTL1MAPTTDP1HDAC1
SCHEMBL1691047 0.76 HDAC1 (0.67) NAMPTL3MBTL1HDAC1GAASDCBP
SCHEMBL17279959 0.75 PRKD1 (0.56) NAMPTL3MBTL1MAPTHDAC1AKT1

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-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 — — 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-10766890-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS NAMPT 1790/4885L3MBTL1 1920/4885MAPT 2896/4885

“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.

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