SCHEMBL19216618

SCHEMBL19216618

CCOC(=O)c1c(-c2c(Cl)cc(Cl)cc2Cl)noc1-c1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 3/20 0.39
IDH1 O75874 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL19216619 0.83 IDH1 (0.45) POLBALOX5IDH1ALDH1A1LMNA
SCHEMBL20241142 0.81 L3MBTL1 (0.50) POLBTDP1ALDH1A1KDM4EHPGD
SCHEMBL24585148 0.77 ALDH1A1 (0.55) POLBTDP1ALDH1A1KDM4EHPGD
SCHEMBL20241265 0.73 GABRA1 (0.47) ALDH1A1KDM4EHPGDRAB9AHTT
SCHEMBL19216547 0.72 IDH1 (0.45) POLBALOX5IDH1ALDH1A1KDM4E
SCHEMBL6069557 0.71 TDP1 (0.47) POLBTDP1ALDH1A1KDM4EHPGD
SCHEMBL2761325 0.71 HTT (0.51) POLBALDH1A1KDM4EHPGDLMNA
SCHEMBL19216623 0.71 IDH1 (0.49) IDH1ALDH1A1HPGDMAPTTSHR
SCHEMBL6069682 0.70 MAPT (0.48) POLBTDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16448979 0.70 TSHR (0.66) POLBTDP1ALDH1A1HPGDLMNA

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 POLB 3870/4885TDP1 2410/4885ALOX5 4352/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B POLB 3870/4885TDP1 2410/4885ALOX5 4352/4885

“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.