SCHEMBL22130447

SCHEMBL22130447

CC(=O)N1CC(C)(C(=O)Nc2nnn[nH]2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.49
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AMPD2 Q01433 1/20 0.36
HSD17B3 P37058 2/20 0.35
MEN1 O00255 1/20 0.34
ADRB2 P07550 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ROCK1 Q13464 1/20 0.34
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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
SCHEMBL22130448 0.83 NPY5R (0.41)
SCHEMBL22130446 0.81 LMNA (0.39) ALDH1A1GAA
SCHEMBL22130474 0.75 NR3C1 (0.32)
SCHEMBL447187 0.68 NOTUM (1.00) NOTUMKDM4EALDH1A1AMPD2CNR2
SCHEMBL24097911 0.66 NOTUM (0.68) NOTUMKDM4EALDH1A1AMPD2HSD17B3
SCHEMBL17446885 0.64 NOTUM (1.00) NOTUMKDM4EALDH1A1AMPD2HSD17B3
SCHEMBL31378004 0.64 NOTUM (0.54) NOTUMKDM4EALDH1A1AMPD2MEN1
SCHEMBL3459360 0.63 NOTUM (0.66) NOTUMKDM4EALDH1A1AMPD2HSD17B3
SCHEMBL2294837 0.62
SCHEMBL12213334 0.62 NOTUM (0.64) NOTUMKDM4EALDH1A1AMPD2HSD17B3

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-10688080-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-23 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-10688080-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA NOTUM 186/4885KDM4E 2498/4885ALDH1A1 1058/4885

“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.