SCHEMBL21359523

SCHEMBL21359523

O=C(O)c1cc(-c2cn[nH]c2)ccc1Oc1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.66
▸ ACMSD Q8TDX5 1/20 0.46
▸ PARP1 P09874 1/20 0.44
▸ PARG Q86W56 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MELK Q14680 1/20 0.43
▸ ROCK2 O75116 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ AKT1 P31749 1/20 0.41
▸ AKT2 P31751 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ CLK2 P49760 1/20 0.40
▸ HIPK1 Q86Z02 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ HIPK2 Q9H2X6 1/20 0.40
▸ HIPK3 Q9H422 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL21359390 0.89 MIF (0.51) MIFKDM4EPOLBMELKROCK2
SCHEMBL21359335 0.89 MIF (0.53) MIFKDM4EPOLBMELKROCK2
SCHEMBL21359320 0.87 MIF (0.52) MIFMELKROCK2ROCK1
SCHEMBL21359318 0.84 MIF (0.47) MIFACMSDKDM4EPOLBMELK
SCHEMBL21359432 0.83 PTPN11 (0.47) MIFKDM4EPOLBROCK2ROCK1
SCHEMBL21359486 0.83 MIF (0.51) MIFROCK2SCN9AROCK1DHODH
SCHEMBL21359470 0.83 XDH (0.48) MIFKDM4EPOLBMELKROCK2
SCHEMBL21359427 0.83 XDH (0.48) MIFKDM4EROCK2AKT1AKT2
SCHEMBL21359480 0.83 KDM4E (0.51) MIFKDM4EPOLBROCK2ROCK1
SCHEMBL21359504 0.83 ACMSD (0.54) MIFACMSDROCK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 — — US disclosed
US-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2021-01-07 — — US disclosed
WO-2019178480-A1 PYRAZOLE-CONTAINING MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS YALE UNIVERSITY (US) 2019-09-19 — — WO 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-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R MIF 1/4885ACMSD 4775/4885PARP1 3714/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R MIF 1/4885ACMSD 4774/4885PARP1 3833/4885

“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.

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