SCHEMBL12555488

SCHEMBL12555488

O=C(CC1CC(c2ccc(O)cc2)=NO1)NCCO

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 17/20 0.68
▸ HDAC6 Q9UBN7 1/20 0.64
▸ ITGB3 P05106 2/20 0.58
▸ ITGA2B P08514 2/20 0.58
▸ ITGB2 P05107 1/20 0.58
▸ ITGAM P11215 1/20 0.58

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
SCHEMBL12518900 0.93 MIF (0.72) MIFHDAC6ITGB3ITGA2BITGB2
SCHEMBL12556242 0.88 ITGB3 (0.74) MIFHDAC6ITGB3ITGA2BITGB2
SCHEMBL12556240 0.85 MIF (0.74) MIFHDAC6ITGB3ITGA2BITGB2
SCHEMBL12518910 0.85 MIF (0.74) MIFHDAC6ITGB3ITGA2BITGB2
SCHEMBL12556116 0.83 MIF (0.71) MIFHDAC6ITGB3ITGA2BITGB2
SCHEMBL12556120 0.83 MIF (0.65) MIFHDAC6ITGB3ITGA2B
SCHEMBL12518895 0.82 MIF (0.74) MIFHDAC6ITGB3ITGA2BITGB2
SCHEMBL14189254 0.82 MIF (0.65) MIFHDAC6ITGB3ITGA2BITGB2
SCHEMBL14189256 0.81 MIF (0.63) MIFHDAC6ITGB3ITGA2B
SCHEMBL15143914 0.80 MIF (0.78) MIFHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION Universite Paris-Saclay (FR) 2017-03-23 — — US disclosed
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION Universite Paris-Saclay (FR) 2017-03-23 — — US disclosed
US-20130225586-A1 COMPOUNDS, COMPOSITIONS, PROCESSES OF MAKING, AND METHODS OF USE RELATED TO INHIBITING MACROPHAGE MIGRATION INHIBITORY FACTOR CPSI STOCKHOLDER TRUST (US) 2013-08-29 — — US disclosed
US-20130225586-A1 COMPOUNDS, COMPOSITIONS, PROCESSES OF MAKING, AND METHODS OF USE RELATED TO INHIBITING MACROPHAGE MIGRATION INHIBITORY FACTOR CPSI STOCKHOLDER TRUST (US) 2013-08-29 — — US disclosed
US-20130196996-A1 USE OF ISOXAZOLINE COMPOUNDS AND COMPOSITIONS IN BLADDER CANCER CPSI STOCKHOLDER TRUST (US) 2013-08-01 — — US disclosed
US-20130196996-A1 USE OF ISOXAZOLINE COMPOUNDS AND COMPOSITIONS IN BLADDER CANCER CPSI STOCKHOLDER TRUST (US) 2013-08-01 — — US disclosed
US-20130172553-A1 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CPSI STOCKHOLDER TRUST (US) 2013-07-04 — — US disclosed
US-20130172553-A1 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CPSI STOCKHOLDER TRUST (US) 2013-07-04 — — US disclosed
WO-2011066482-A2 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CYTOKINE PHARMASCIENCES, INC. (US) 2011-06-03 — — WO disclosed
US-20080113997-A1 COMPOUNDS, COMPOSITIONS, PROCESSES OF MAKING, AND METHODS OF USE RELATED TO INHIBITING MACROPHAGE MIGRATION INHIBITORY FACTOR CYTOKINE PHARMASCIENCES, INC. (US) 2008-05-15 — — US disclosed
US-20080113997-A1 COMPOUNDS, COMPOSITIONS, PROCESSES OF MAKING, AND METHODS OF USE RELATED TO INHIBITING MACROPHAGE MIGRATION INHIBITORY FACTOR CYTOKINE PHARMASCIENCES, INC. (US) 2008-05-15 — — 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-20130225586-A1 COMPOUNDS, COMPOSITIONS, PROCESSES OF MAKING, AND METHODS OF USE RELATED TO INHIBITING MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MSR1, MRGPRX2 MIF 1/4885HDAC6 1161/4885ITGB3 618/4885
US-20130172553-A1 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CYP3A7, CYP2A7, UGT1A7 MIF 3650/4885HDAC6 1581/4885ITGB3 2023/4885
US-20130196996-A1 USE OF ISOXAZOLINE COMPOUNDS AND COMPOSITIONS IN BLADDER CANCER INMT, BTF3, BPGM MIF 1034/4885HDAC6 606/4885ITGB3 805/4885
US-20080113997-A1 COMPOUNDS, COMPOSITIONS, PROCESSES OF MAKING, AND METHODS OF USE RELATED TO INHIBITING MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MSR1, MRGPRX2 MIF 1/4885HDAC6 1161/4885ITGB3 618/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF MIF 1/4885HDAC6 2014/4885ITGB3 3189/4885

“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.

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