SCHEMBL4940986

SCHEMBL4940986

O=C(O)c1ccc2c([N+](=O)[O-])c(O)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.60
▸ ESR2 Q92731 1/20 0.60
▸ CASP6 P55212 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45

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
SCHEMBL28275810 0.86 PTPN1 (0.54) ESR1ESR2CASP6KDM4EPOLB
SCHEMBL8526914 0.83 TSHR (0.58) ESR1ESR2CASP6KDM4EPOLB
SCHEMBL6345493 0.83 COMT (0.48) ESR1ESR2CASP6KDM4ECA12
SCHEMBL2311155 0.82 LCK (0.65) ESR1ESR2KDM4ECA12CA1
SCHEMBL2311981 0.80 CYP3A4 (0.45) ESR1ESR2CASP6KDM4EPOLB
SCHEMBL4948582 0.79 LCK (0.60) ESR1ESR2KDM4ECA12CA1
SCHEMBL6631502 0.79 PTPN1 (0.46) CASP6POLBPTPN1TSHRLMNA
SCHEMBL7909511 0.79 ESR1 (0.65) ESR1ESR2GAAL3MBTL1PIM1
SCHEMBL5981389 0.78 ESR1 (0.63) ESR1ESR2KDM4ECA12CA1
SCHEMBL26933730 0.78 ESR1 (0.63) ESR1ESR2KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1675154-A Napththalene derivatives which inhibit the cytokine or biological activity of macrophage migration inhibitory factor (MIF) CORTICAL PTY LTD (AU) 2005-09-28 — — CN claimed
EP-1549598-A4 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2008-01-23 — — EP disclosed
US-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) Morand, Eric 2006-05-18 — — US disclosed
CN-1675154-A Napththalene derivatives which inhibit the cytokine or biological activity of macrophage migration inhibitory factor (MIF) CORTICAL PTY LTD (AU) 2005-09-28 — — CN disclosed
EP-1549598-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) Cortical Pty Ltd (AU) 2005-07-06 — — EP disclosed
WO-2005058304-A1 IMPLANTABLE DEVICE CONTAINING INHIBITOR OF MACROPHAGE MIGRATION INHIBITORY FACTOR CORTICAL PTY LTD (AU) 2005-06-30 — — WO disclosed
WO-2003104178-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2003-12-18 — — 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 (1 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-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) MIF, ARG1, MSR1 ESR1 2512/4885ESR2 644/4885CASP6 2794/4885

“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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