SCHEMBL19216902

SCHEMBL19216902

CCOC(=O)c1c(-c2c(Cl)cc(Cl)cc2Cl)noc1C1(C)CNC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 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
SCHEMBL19540893 0.87 IDH1 (0.42) IDH1MAPTTP53ALDH1A1HPGD
SCHEMBL19532688 0.82 IDH1 (0.45) IDH1MAPTTP53ALDH1A1TDP1
SCHEMBL19532689 0.81 IDH1 (0.49) IDH1MAPTTP53ALDH1A1TDP1
SCHEMBL19216623 0.80 IDH1 (0.49) IDH1MAPTTP53ALDH1A1HPGD
SCHEMBL19216903 0.80 IDH1 (0.40) IDH1TP53ALDH1A1TDP1
SCHEMBL21456723 0.80 POLB (0.49) IDH1MAPTTP53ALDH1A1TDP1
SCHEMBL19532690 0.78 IDH1 (0.37) IDH1MAPTTP53ALDH1A1HPGD
SCHEMBL19540822 0.77 IDH1 (0.41) IDH1MAPTALDH1A1TDP1HPGD
SCHEMBL19216624 0.76 IDH1 (0.40) IDH1MAPTTP53ALDH1A1THRB
SCHEMBL19532695 0.74 ALDH1A1 (0.38) IDH1TP53ALDH1A1TDP1

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 4 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-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 1/4885MAPT 4035/4885TP53 58/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B IDH1 1/4885MAPT 4035/4885TP53 58/4885

“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.