SCHEMBL19216619

SCHEMBL19216619

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.45
IP6K1 Q92551 2/20 0.39
IP6K3 Q96PC2 2/20 0.39
IP6K2 Q9UHH9 2/20 0.39
NAPRT Q6XQN6 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PTGS2 P35354 2/20 0.37
PPARD Q03181 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
RORC P51449 3/20 0.36
DUSP3 P51452 2/20 0.35
PTPN1 P18031 1/20 0.35
POLB P06746 2/20 0.34
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.34

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
SCHEMBL19216618 0.83 POLB (0.40) IDH1ALDH1A1MAPTLMNATSHR
SCHEMBL2761580 0.78 NAPRT (0.42) IP6K1IP6K3IP6K2NAPRTALDH1A1
SCHEMBL19216587 0.68 IDH1 (0.51) IDH1ALDH1A1MAPTLMNAGAA
SCHEMBL19532678 0.68 IDH1 (0.48) IDH1ALDH1A1MAPTLMNAGAA
SCHEMBL19216592 0.68 IDH1 (0.53) IDH1ALDH1A1MAPTLMNAGAA
SCHEMBL2761325 0.67 HTT (0.51) ALDH1A1MAPTLMNANPSR1L3MBTL1
SCHEMBL19216570 0.66 IDH1 (0.52) IDH1
SCHEMBL19216615 0.66 IDH1 (0.46) IDH1
SCHEMBL5775092 0.66 RORC (0.56) ALDH1A1MAPTLMNAGAAPTGS2
SCHEMBL19216541 0.66 IDH1 (0.52) IDH1TSHR

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 1/4885IP6K1 1299/4885IP6K3 1740/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B IDH1 1/4885IP6K1 1299/4885IP6K3 1740/4885

“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.