SCHEMBL21359419

SCHEMBL21359419

NCc1ccc(Oc2ccc(-c3cn[nH]c3)cc2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 1/20 0.44
▸ MIF P14174 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ ROCK1 Q13464 9/20 0.42
▸ ROCK2 O75116 8/20 0.42
▸ PLAU P00749 2/20 0.42
▸ AKT2 P31751 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PLG P00747 1/20 0.39
▸ MYLK4 Q86YV6 1/20 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
SCHEMBL21359555 0.90 PLAU (0.51) MELKMIFROCK1ROCK2PLAU
SCHEMBL21359390 0.85 MIF (0.51) MELKMIFSCN9AROCK1ROCK2
SCHEMBL21359486 0.84 MIF (0.51) MIFSCN9AROCK1ROCK2LRRK2
SCHEMBL21359470 0.84 XDH (0.48) MELKMIFSCN9AROCK1ROCK2
SCHEMBL21359480 0.84 KDM4E (0.51) MIFROCK1ROCK2KDM4EPOLB
SCHEMBL21359427 0.84 XDH (0.48) MIFROCK1ROCK2AKT2KDM4E
SCHEMBL21359497 0.82 ROCK2 (0.47) ROCK1ROCK2
SCHEMBL21359523 0.80 MIF (0.66) MELKMIFSCN9AROCK1ROCK2
SCHEMBL21359432 0.80 PTPN11 (0.47) MIFROCK1ROCK2KDM4EPOLB
SCHEMBL21359482 0.79 XDH (0.51) MIFROCK1ROCK2KDM4EPOLB

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 MELK 1634/4885MIF 1/4885SCN9A 4068/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R MELK 1544/4885MIF 1/4885SCN9A 3989/4885

“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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