SCHEMBL26564754

SCHEMBL26564754

NCCc1ccc(O)c(C(=O)NC2CCCc3ccccc32)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.71
TAS1R1 Q7RTX1 8/20 0.71
TAS1R2 Q8TE23 5/20 0.71
ALDH1A1 P00352 3/20 0.56
CFD P00746 2/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL26565348 0.88 TAS1R3 (0.68) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL26564758 0.87 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2ALDH1A1CFD
SCHEMBL704675 0.83 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL704676 0.83 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL12521450 0.78 TAS1R3 (0.74) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL26564759 0.77 TAS1R3 (0.68) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL702373 0.77 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL702372 0.77 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL8516550 0.74 ALDH1A1 (0.72) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL22756633 0.74 ALDH1A1 (0.72) ALDH1A1HTTMEN1KMT2A

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 TAS1R3 4637/4885TAS1R1 4099/4885TAS1R2 3830/4885

“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.