SCHEMBL19216623

SCHEMBL19216623

CCOC(=O)c1c(-c2c(Cl)cc(Cl)cc2Cl)noc1C1(N)CCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.49
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL19532688 0.96 IDH1 (0.45) IDH1HPGDL3MBTL1MAPTTSHR
SCHEMBL19532689 0.83 IDH1 (0.49) IDH1HPGDL3MBTL1MAPTALDH1A1
SCHEMBL19216541 0.83 IDH1 (0.52) IDH1TSHR
SCHEMBL19216902 0.80 IDH1 (0.41) IDH1HPGDL3MBTL1MAPTALDH1A1
SCHEMBL19216624 0.80 IDH1 (0.40) IDH1HPGDL3MBTL1MAPTRXFP1
SCHEMBL19540893 0.79 IDH1 (0.42) IDH1HPGDMAPTALDH1A1TP53
SCHEMBL19532690 0.78 IDH1 (0.37) IDH1HPGDL3MBTL1MAPTRXFP1
SCHEMBL21456723 0.76 POLB (0.49) IDH1HPGDL3MBTL1MAPTTSHR
SCHEMBL19216905 0.75 IDH1 (0.40) IDH1
SCHEMBL19899881 0.75 MAPT (0.50) HPGDL3MBTL1MAPTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202766-B1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO CO LTD (JP) 2019-12-25 EP disclosed
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-11-02 US disclosed
US-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-11-02 US disclosed
EP-3202766-A1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-09 EP 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 (2 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-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR IDH1, IDH3A, IDH3B IDH1 1/4885HPGD 180/4885L3MBTL1 1403/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B IDH1 1/4885HPGD 180/4885L3MBTL1 1403/4885

“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.