SCHEMBL19216639

SCHEMBL19216639

CC(C)(C)OC(=O)/C=C1\CCc2c[nH]c3cccc1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 2/20 0.41
RECQL P46063 1/20 0.41
PLEC Q15149 1/20 0.41
HTR7 P34969 6/20 0.39
HTR6 P50406 6/20 0.39
HTR1A P08908 5/20 0.39
HTR2B P41595 5/20 0.39
HTR5A P47898 5/20 0.39
DRD3 P35462 5/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD5 P21918 4/20 0.39
HTR1D P28221 4/20 0.39
HTR1E P28566 4/20 0.39
HRH1 P35367 4/20 0.39

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
SCHEMBL19216563 0.79 IDH1 (0.32)
SCHEMBL19216726 0.75 IDH1 (0.44) MEN1KMT2A
SCHEMBL19513887 0.69 PARP1 (0.46) PARP1KDM4EMEN1KMT2AMAPT
SCHEMBL261487 0.67 PARP1 (0.64) PARP1KDM4EMEN1KMT2AMAPT
SCHEMBL741883 0.67 ESR2 (0.53) PARP1MAPTDRD3DRD2DRD4
SCHEMBL6307694 0.65 HTR2A (0.43) PARP1KDM4EMEN1KMT2AMAPT
SCHEMBL19216640 0.65 MTNR1A (0.40) KDM4EMEN1KMT2AMAPTHTR1A
SCHEMBL25042663 0.65 PARP1 (0.41) PARP1KDM4EMEN1KMT2AMAPT
SCHEMBL11242694 0.65 PARP1 (0.60) PARP1KDM4EMEN1KMT2AMAPT
SCHEMBL16353839 0.64 ESR2 (0.53) PARP1MAPTDRD3DRD2DRD4

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 PARP1 1864/4885KDM4E 188/4885MEN1 824/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B PARP1 1864/4885KDM4E 188/4885MEN1 824/4885

“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.