SCHEMBL21359427

SCHEMBL21359427

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.48
▸ SLC22A12 Q96S37 1/20 0.48
▸ MIF P14174 1/20 0.46
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ AKT2 P31751 5/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ CDH1 P12830 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ TCF7L2 Q9NQB0 1/20 0.42
▸ ROCK2 O75116 5/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PRKACA P17612 2/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ AKT3 Q9Y243 2/20 0.41
▸ RPS6KA5 O75582 1/20 0.41
▸ RPS6KA4 O75676 1/20 0.41
▸ LATS1 O95835 1/20 0.41
▸ PRKACB P22694 1/20 0.41

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) XDHSLC22A12MIFAKT2ROCK2
SCHEMBL21359486 0.88 MIF (0.51) XDHMIFDHODHROCK2GRK2
SCHEMBL21359470 0.88 XDH (0.48) XDHMIFDHODHROCK2ROCK1
SCHEMBL21359480 0.88 KDM4E (0.51) MIFROCK2ROCK1KDM4ECFD
SCHEMBL21359482 0.87 XDH (0.51) XDHSLC22A12MIFDHODHROCK2
SCHEMBL21359419 0.84 MELK (0.44) MIFAKT2ROCK2ROCK1KDM4E
SCHEMBL21359523 0.83 MIF (0.66) MIFAKT2DHODHROCK2AKT1
SCHEMBL21359562 0.81 IDO1 (0.48) MIFAKT2ROCK2AKT1ROCK1
SCHEMBL21359432 0.81 PTPN11 (0.47) MIFROCK2ROCK1KDM4E
SCHEMBL21359485 0.80 MIF (0.51) MIFDHODHROCK2ROCK1KDM4E

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
US-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors YALE UNIVERSITY (US) 2024-06-04 — — US disclosed
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 — — US disclosed
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 — — US disclosed
US-11465991-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors YALE UNIVERSITY (US) 2022-10-11 — — 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 (4 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-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors MIF, MMP12, CSF1R XDH 1873/4885SLC22A12 1043/4885MIF 1/4885
US-11465991-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors MIF, MMP12, CSF1R XDH 2312/4885SLC22A12 1000/4885MIF 1/4885
US-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R XDH 2312/4885SLC22A12 1000/4885MIF 1/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R XDH 1873/4885SLC22A12 1043/4885MIF 1/4885

“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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