SCHEMBL21787312

SCHEMBL21787312

C=CC(=O)Nc1ccc(NC(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.65
F13A1 P00488 4/20 0.59
TGM1 P22735 4/20 0.59
LMNA P02545 1/20 0.59
TGM3 Q08188 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.45
GSTO1 P78417 1/20 0.42

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
SCHEMBL439369 0.84 TGM2 (0.79) TGM2F13A1TGM1LMNATGM3
SCHEMBL21469043 0.83 TGM2 (0.59) TGM2F13A1TGM1LMNATGM3
SCHEMBL6358305 0.82 TGM2 (0.71) TGM2F13A1TGM1LMNATGM3
SCHEMBL1381808 0.81 TGM2 (0.65) TGM2F13A1TGM1LMNATGM3
SCHEMBL20322708 0.79 HCAR3 (0.51) TGM2F13A1TGM1LMNATGM3
SCHEMBL23328326 0.79 TGM2 (0.61) TGM2F13A1TGM1LMNATGM3
SCHEMBL38661653 0.79 TGM2 (0.61) TGM2F13A1TGM1LMNATGM3
SCHEMBL2723385 0.79 TGM2 (0.61) TGM2F13A1TGM1LMNATGM3
SCHEMBL2722982 0.79 TGM2 (0.61) TGM2F13A1TGM1LMNATGM3
SCHEMBL648950 0.79 TGM2 (1.00) TGM2F13A1TGM1LMNATGM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403460-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2021-12-30 US disclosed
US-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof ISOCURE BIOSCIENCES INC. (US) 2021-10-19 US disclosed
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2020-03-05 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 (3 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-20210403460-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A TGM2 525/4885F13A1 3752/4885TGM1 960/4885
US-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof IDH1, IDH2, IDH3A TGM2 525/4885F13A1 3752/4885TGM1 960/4885
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A TGM2 525/4885F13A1 3752/4885TGM1 960/4885

“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.