SCHEMBL26564767

SCHEMBL26564767

CC1(C)OC(=O)c2cc(CCNC(=O)OCc3ccccc3)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
IDO1 P14902 2/20 0.42
CA1 P00915 2/20 0.42
KAT2B Q92831 1/20 0.41
TDO2 P48775 1/20 0.41
TGM2 P21980 1/20 0.41
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL12514954 0.89 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL26564766 0.75 FFAR1 (0.42) KEAP1
SCHEMBL28496879 0.75 NPC1 (0.65) SMN1; SMN2LMNAHTTMAPTNPC1
SCHEMBL2466231 0.75 NPC1 (0.58) SMN1; SMN2MAPTNPC1ALDH1A1TP53
Benzyl Phenethylcarbamate SCHEMBL4287199 0.74 LMNA (0.73) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL15156569 0.74 LMNA (0.57) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL2470924 0.73 HSP90AA1 (0.48) SMN1; SMN2LMNAL3MBTL1MAPTCA1
SCHEMBL11888466 0.73 KMT2A (0.49)
SCHEMBL7371177 0.73 TRPV1 (0.60) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL4187817 0.73 TRPV1 (0.55) SMN1; SMN2LMNAHTTL3MBTL1MAPT

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-20230331663-A1 SMALL MOLECULE NICOTINAMIDE ADENINE DINUCLEOTIDE MODULATORS THE CLEVELAND CLINIC FOUNDATION 2023-10-19 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-20230331663-A1 SMALL MOLECULE NICOTINAMIDE ADENINE DINUCLEOTIDE MODULATORS NQO1, NADK, CD38 SMN1; SMN2 2057/4885LMNA 1685/4885HTT 2862/4885

“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.