SCHEMBL2757854

SCHEMBL2757854

O=c1oc2ccc(O)cc2n1Cc1ccccc1CO

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 0.70
CD74 P04233 7/20 0.58
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 4/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.46
IDO1 P14902 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
SCHEMBL2757853 0.85 MIF (0.67) MIFCD74L3MBTL1ALDH1A1TSHR
SCHEMBL29566244 0.82 MIF (1.00) MIFCD74L3MBTL1ALDH1A1TSHR
SCHEMBL3266381 0.82 MIF (1.00) MIFCD74L3MBTL1ALDH1A1TSHR
SCHEMBL16554239 0.82 MIF (0.70) MIFCD74IDO1
SCHEMBL18805704 0.78 MIF (0.81) MIFCD74IDO1
SCHEMBL18805683 0.77 MIF (1.00) MIFCD74L3MBTL1ALDH1A1TSHR
SCHEMBL11218178 0.74 MIF (0.54) MIFCD74TSHRHPGDUSP2
SCHEMBL2757834 0.74 MIF (0.66) MIFCD74L3MBTL1ALDH1A1TSHR
SCHEMBL13086455 0.74 MIF (1.00) MIFCD74IDO1
SCHEMBL18805693 0.72 MIF (0.82) MIFCD74L3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162813-A1 MIF MODULATORS YALE UNIVERSITY 2018-06-14 US disclosed
US-9540322-B2 MIF modulators YALE UNIVERSITY (US) 2017-01-10 US disclosed
US-20120040974-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-02-16 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 US 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 (3 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-20180162813-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MIF 1/4885CD74 15/4885L3MBTL1 2468/4885
US-20120040974-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MIF 1/4885CD74 15/4885L3MBTL1 2468/4885
US-20120004261-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MIF 1/4885CD74 15/4885L3MBTL1 2468/4885

“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.