SCHEMBL21359485

SCHEMBL21359485

O=C(O)c1cc(-c2cn[nH]c2)ccc1Oc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ROCK2 O75116 12/20 0.44
▸ ROCK1 Q13464 6/20 0.43
▸ CDC42BPA Q5VT25 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ SCN9A Q15858 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 0.88 MIF (0.51) MIFKDM4EPOLBROCK2ROCK1
SCHEMBL22861266 0.88 ROCK2 (0.48) ROCK2ROCK1CDC42BPA
SCHEMBL21359432 0.87 PTPN11 (0.47) MIFKDM4EPOLBROCK2ROCK1
SCHEMBL21359486 0.87 MIF (0.51) MIFROCK2ROCK1LRRK2DHODH
SCHEMBL21359530 0.86 XDH (0.51) MIFKDM4EPOLBROCK2ROCK1
SCHEMBL21359482 0.86 XDH (0.51) MIFKDM4EPOLBROCK2ROCK1
SCHEMBL21359438 0.86 KDM4E (0.64) KDM4EPOLBROCK2ROCK1
SCHEMBL21359555 0.83 PLAU (0.51) MIFKDM4EPOLBROCK2ROCK1
SCHEMBL21359523 0.82 MIF (0.66) MIFKDM4EPOLBROCK2ROCK1
SCHEMBL21359480 0.80 KDM4E (0.51) MIFKDM4EPOLBROCK2ROCK1

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 1/4885KDM4E 1211/4885POLB 4740/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R MIF 1/4885KDM4E 1525/4885POLB 4781/4885

“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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