SCHEMBL21904728

SCHEMBL21904728

CN(C)C(=C[N+](C)=O)n1nnc2ccccc21.F[P-](F)(F)(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GAA P10253 12/20 0.42
▸ MGAM O43451 11/20 0.42
▸ AMY1A P0DUB6 11/20 0.42
▸ SI P14410 11/20 0.42
▸ MGAM2 Q2M2H8 11/20 0.42
▸ F2 P00734 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SLC9A1 P19634 1/20 0.42
▸ KCNMA1 Q12791 1/20 0.39
▸ F12 P00748 5/20 0.39
▸ MIF P14174 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21176002 0.82 TUBB4A (0.40) —
SCHEMBL21073734 0.78 DGAT1 (0.51) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23883165 0.75 TUBB4A (0.40) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL3893181 0.71 DGAT1 (0.57) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL425007 0.70 KMT2A (0.61) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL21904738 0.69 DGAT1 (0.51) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1971917 0.69 DGAT1 (0.51) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30597935 0.68 DGAT1 (0.53) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL21904737 0.68 DGAT1 (0.49) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29031460 0.68 DGAT1 (0.49) DGAT1KMT2AMAPTKDM4EALDH1A1

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-20200138688-A1 Composition For Enhancing Protein Strength LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2020-05-07 — — 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-20200138688-A1 Composition For Enhancing Protein Strength CUTA, S100A4, S100A8 DGAT1 3915/4885KMT2A 844/4885MAPT 1134/4885

“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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