SCHEMBL568580

SCHEMBL568580

N#Cc1c(O)c2ccccc2n(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
PDE9A O76083 1/20 0.51
PDE1C Q14123 1/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
CCR2 P41597 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
CASP6 P55212 1/20 0.46
TP53 P04637 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL18582737 0.89 PDE9A (0.62) ALDH1A1KDM4EHSD17B10PDE9APDE1C
SCHEMBL22864939 0.87 PDE9A (0.67) ALDH1A1KDM4EHSD17B10PDE9APDE1C
SCHEMBL18608868 0.87 PDE9A (0.51) ALDH1A1KDM4EPDE9APDE1CMEN1
SCHEMBL568696 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10PDE9APDE1C
SCHEMBL14375754 0.82 PDE9A (0.49) ALDH1A1KDM4EHSD17B10PDE9APDE1C
SCHEMBL11372084 0.80 L3MBTL1 (0.63) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23411350 0.78 KDM4E (0.64) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL29891520 0.78 KDM4E (0.64) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL11445217 0.78 KMT2A (0.81) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5529427 0.77 HTR3A (0.50) ALDH1A1KDM4EHSD17B10PDE9APDE1C

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964987-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-04-23 US disclosed
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2021-01-07 US disclosed
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2021-01-07 US disclosed
US-10815244-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-27 US disclosed
US-10815244-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-27 US disclosed
EP-3354640-A2 MIF INHIBITORS AND THEIR USES Innovimmune Biotherapeutics, Inc. (US) 2018-08-01 EP disclosed
EP-3354640-A2 MIF INHIBITORS AND THEIR USES Innovimmune Biotherapeutics, Inc. (US) 2018-08-01 EP disclosed
EP-2696682-B1 MIF INHIBITORS AND THEIR USES INNOVIMMUNE BIOTHERAPEUTICS INC (US) 2018-03-21 EP disclosed
EP-2696682-B1 MIF INHIBITORS AND THEIR USES INNOVIMMUNE BIOTHERAPEUTICS INC (US) 2018-03-21 EP disclosed
EP-2592933-B1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2017-04-05 EP disclosed
US-20120035150-A1 MIF INHIBITORS AND THEIR USES INNOV88 LLC 2012-02-09 US disclosed
US-20120035150-A1 MIF INHIBITORS AND THEIR USES INNOV88 LLC 2012-02-09 US disclosed
US-20120035150-A1 MIF INHIBITORS AND THEIR USES INNOV88 LLC 2012-02-09 US disclosed
WO-2012009649-A1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2012-01-19 WO disclosed
US-7235546-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-06-26 US disclosed
US-7235546-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-06-26 US disclosed
US-20070054898-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-20070054898-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 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 (5 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-20120035150-A1 MIF INHIBITORS AND THEIR USES MIF, SERPINB1, HMGB2 ALDH1A1 790/4885KDM4E 4189/4885HSD17B10 2121/4885
US-11964987-B2 Isoidide derivatives and methods of making and using same MIF, ITGB7, ITGB4 ALDH1A1 1018/4885KDM4E 1574/4885HSD17B10 3272/4885
US-20070054898-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 ALDH1A1 1799/4885KDM4E 2968/4885HSD17B10 3007/4885
US-10815244-B2 Isoidide derivatives and methods of making and using same MIF, ITGB7, ITGB4 ALDH1A1 1018/4885KDM4E 1574/4885HSD17B10 3272/4885
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME MIF, ITGB7, ITGB4 ALDH1A1 1018/4885KDM4E 1574/4885HSD17B10 3272/4885

“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.