SCHEMBL20975437

SCHEMBL20975437

CCOC(=O)Cn1ccc2cccnc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
TNF P01375 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL15485039 0.83 MTNR1A (0.53) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2695944 0.80 PSMB5 (0.53) KDM4EALDH1A1TNFLMNAMEN1
SCHEMBL20975490 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL27252002 0.79 HTR2A (0.48) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL20975450 0.77 KDM4E (0.47) KDM4EALDH1A1TNFLMNATSHR
SCHEMBL18956056 0.74 KDM4E (0.47) KDM4EALDH1A1HTTHSD17B10TNF
SCHEMBL30874370 0.74 KDM4E (0.47) KDM4EALDH1A1HTTHSD17B10TNF
SCHEMBL20975444 0.74 KDM4E (0.45) KDM4EALDH1A1HPGDTNFLMNA
SCHEMBL3864912 0.74 KMT2A (0.61) KDM4EALDH1A1HPGDHSD17B10TNF
SCHEMBL30379991 0.74 KMT2A (0.61) KDM4EALDH1A1HPGDHSD17B10TNF

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-20210107896-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2021-04-15 US disclosed
US-10899739-B2 Macrophage migration inhibitory factor inhibitors, and methods of making and using same YALE UNIVERSITY (US) 2021-01-26 US disclosed
US-20190144424-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same YALE UNIVERSITY 2019-05-16 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-20210107896-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 KDM4E 651/4885ALDH1A1 2061/4885HPGD 1892/4885
US-20190144424-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 KDM4E 651/4885ALDH1A1 2061/4885HPGD 1892/4885
US-10899739-B2 Macrophage migration inhibitory factor inhibitors, and methods of making and using same MIF, MMP12, METAP1 KDM4E 651/4885ALDH1A1 2061/4885HPGD 1892/4885

“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.