SCHEMBL2680332

SCHEMBL2680332

COCCOCCN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
KDM4E B2RXH2 6/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 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
SCHEMBL501715 1.00 HRH3 (0.48) HRH3KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL502016 1.00 HRH3 (0.48) HRH3KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL501637 0.98 HRH3 (0.52) HRH3KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL10852700 0.98 HRH3 (0.52) HRH3KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL720901 0.98 HRH3 (0.52) HRH3KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL501546 0.98 HRH3 (0.52) HRH3KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL64198 0.91 HRH3 (0.44) HRH3KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL12371266 0.91 HRH3 (0.51) HRH3ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL5487629 0.91 KDM4E (0.43) KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL1277024 0.90 HRH3 (0.54) HRH3ALDH1A1KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
WO-2023225050-A1 HIGH-DIELECTRIC CONSTANT ZWITTERIONIC LIQUIDS THE PENN STATE RESEARCH FOUNDATION (US) 2023-11-23 WO disclosed
WO-2022093817-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2022-05-05 WO disclosed
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP disclosed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US disclosed
EP-2457898-A1 FULLERENE DERIVATIVE Sumitomo Chemical Company Limited (JP) 2012-05-30 EP disclosed
US-20120111411-A1 FULLERENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2012-05-10 US disclosed
US-20120111411-A1 FULLERENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2012-05-10 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
CN-101663790-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2010-03-03 CN 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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R HRH3 2066/4885KDM4E 3312/4885HTT 4753/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R HRH3 2066/4885KDM4E 3312/4885HTT 4753/4885
US-20120111411-A1 FULLERENE DERIVATIVE HCN2, KCNN2, TMEM109 HRH3 4728/4885KDM4E 3338/4885HTT 1946/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 HRH3 3657/4885KDM4E 689/4885HTT 3760/4885

“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.