SCHEMBL21359486

SCHEMBL21359486

O=C(O)c1cc(-c2cn[nH]c2)ccc1Oc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.51
▸ XDH P47989 1/20 0.48
▸ ROCK1 Q13464 6/20 0.47
▸ ROCK2 O75116 5/20 0.47
▸ LRRK2 Q5S007 1/20 0.46
▸ DHODH Q02127 2/20 0.44
▸ SCN9A Q15858 2/20 0.42
▸ PTGER4 P35408 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ GRK2 P25098 1/20 0.41
▸ CFD P00746 1/20 0.40
▸ MYLK4 Q86YV6 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) MIFXDHROCK1ROCK2SCN9A
SCHEMBL21359470 0.88 XDH (0.48) MIFXDHROCK1ROCK2LRRK2
SCHEMBL21359480 0.88 KDM4E (0.51) MIFROCK1ROCK2CFD
SCHEMBL21359427 0.88 XDH (0.48) MIFXDHROCK1ROCK2DHODH
SCHEMBL22861238 0.87 ROCK2 (0.52) ROCK1ROCK2LRRK2SCN9A
SCHEMBL21359485 0.87 MIF (0.51) MIFROCK1ROCK2LRRK2DHODH
SCHEMBL21359419 0.84 MELK (0.44) MIFROCK1ROCK2LRRK2SCN9A
SCHEMBL21359523 0.83 MIF (0.66) MIFROCK1ROCK2DHODHSCN9A
SCHEMBL31028153 0.82 PTGER4 (0.71) ROCK1ROCK2LRRK2SCN9APTGER4
SCHEMBL22319398 0.81 MIF (0.51) MIFXDHDHODHPTGER4PTGER2

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 1/4885XDH 2312/4885ROCK1 1458/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R MIF 1/4885XDH 1873/4885ROCK1 1537/4885

“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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