SCHEMBL368418

SCHEMBL368418

O=c1oc(=O)n(Cc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.55
CD74 P04233 1/20 0.55
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.52
IDO1 P14902 4/20 0.51
ALDH1A1 P00352 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
P2RX4 Q99571 2/20 0.47
TP53 P04637 1/20 0.47
TNIK Q9UKE5 1/20 0.46
PLK1 P53350 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
SCHEMBL1522607 0.88 MIF (0.66) MIFCD74KMT2AMEN1IDO1
SCHEMBL9047870 0.87 IDO1 (0.68) MIFKMT2ALMNATSHRMEN1
SCHEMBL3932904 0.85 IDO1 (0.57) MIFCD74KMT2AMEN1IDO1
SCHEMBL11996086 0.85 ALDH1A1 (0.69) MIFCD74KMT2ATSHRMEN1
SCHEMBL5308662 0.85 NPC1 (0.55) MIFKMT2ALMNAMEN1IDO1
SCHEMBL9371190 0.83 MIF (0.71) MIFCD74KMT2AIDO1POLB
SCHEMBL5123471 0.83 MIF (0.67) MIFCD74KMT2AIDO1ALDH1A1
SCHEMBL1716066 0.82 MIF (0.51) MIFCD74KMT2AMEN1IDO1
SCHEMBL3929699 0.82 IDO1 (0.60) MIFCD74KMT2AIDO1ALDH1A1
SCHEMBL2860677 0.82 P2RX4 (0.68) MIFKMT2AMEN1IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2592933-B1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2017-04-05 EP disclosed
EP-2592933-B1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2017-04-05 EP disclosed
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 US disclosed
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 US disclosed
WO-2017040459-A1 IMPROVED SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 WO disclosed
US-9050334-B2 MIF inhibitors and their uses INNOV88 LLC (US) 2015-06-09 US disclosed
US-9050334-B2 MIF inhibitors and their uses INNOV88 LLC (US) 2015-06-09 US disclosed
US-9050334-B2 MIF inhibitors and their uses INNOV88 LLC (US) 2015-06-09 US disclosed
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-20070054923-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
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 US disclosed
US-3969506-A BRONCHODILATOR SANDOZ, INC. (US) 1976-07-13 US disclosed
US-3963720-A BRONCHODILATORS, TRANQUILLIZERS, SEDATIVEHYPNOTIC AGENTS SANDOZ, INC. (US) 1976-06-15 US disclosed
US-3959279-A ANTIHISTAMINES SANDOZ, INC. (US) 1976-05-25 US disclosed
US-3936453-A 1-Substituted-2-disubstituted aminoquin azolin-4(1h)-ones SANDOZ, INC. (US) 1976-02-03 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 (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-10815244-B2 Isoidide derivatives and methods of making and using same MIF, ITGB7, ITGB4 MIF 1/4885CD74 95/4885KMT2A 4578/4885
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 MIF 1/4885CD74 52/4885KMT2A 3849/4885
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME MIF, ITGB7, ITGB4 MIF 1/4885CD74 95/4885KMT2A 4578/4885
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS MIF, ITGB7, ITGB4 MIF 1/4885CD74 48/4885KMT2A 4130/4885

“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.