SCHEMBL1444816

SCHEMBL1444816

COc1ccc(-c2cc(I)ncn2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MIF P14174 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CYP17A1 P05093 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12819397 0.85 FAAH (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1445234 0.80 KMO (0.57) ALDH1A1RAB9AMIFKDM4EGAA
SCHEMBL1445809 0.77 CYP17A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1445060 0.76 MIF (0.40) ALDH1A1MEN1KMT2AMIFKDM4E
SCHEMBL1444759 0.75 MAP4K1 (0.47) MIF
SCHEMBL15698731 0.74 CYP1A2 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9464193 0.74 CYP17A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1445248 0.73 MIF (0.66) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL25946726 0.73 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3995066 0.72 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2018-01-11 US claimed
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES ADVANCED CANCER THERAPEUTICS, LLC (US) 2015-12-24 US claimed
US-20130079361-A1 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS ADVANCED CANCER THERAPEUTICS, LLC 2013-03-28 US claimed
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2018-01-11 US disclosed
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2018-01-11 US disclosed
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES ADVANCED CANCER THERAPEUTICS, LLC (US) 2015-12-24 US disclosed
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES ADVANCED CANCER THERAPEUTICS, LLC (US) 2015-12-24 US disclosed
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES ADVANCED CANCER THERAPEUTICS, LLC (US) 2015-12-24 US disclosed
US-9162987-B2 Iodo pyrimidine derivatives useful for the treatment of macrophage migration inhibitory factor (MIF)-implicated diseases and conditions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-20 US disclosed
US-9162987-B2 Iodo pyrimidine derivatives useful for the treatment of macrophage migration inhibitory factor (MIF)-implicated diseases and conditions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-20 US disclosed
US-9162987-B2 Iodo pyrimidine derivatives useful for the treatment of macrophage migration inhibitory factor (MIF)-implicated diseases and conditions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-20 US disclosed
US-9155790-B2 Methods and compositions for modulating ocular damage University of Lousiville Research Foundation, Inc. (US) 2015-10-13 US disclosed
US-20130177552-A1 METHODS AND COMPOSITIONS FOR MODULATING OCULAR DAMAGE UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-07-11 US disclosed
US-20130079361-A1 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS ADVANCED CANCER THERAPEUTICS, LLC 2013-03-28 US disclosed
US-20130079361-A1 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS ADVANCED CANCER THERAPEUTICS, LLC 2013-03-28 US disclosed
US-20130079361-A1 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS ADVANCED CANCER THERAPEUTICS, LLC 2013-03-28 US disclosed
EP-2480235-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS University Of Louisville Research Foundation, Inc. (US) 2012-08-01 EP disclosed
WO-2011146824-A1 METHODS AND COMPOSITIONS FOR MODULATING OCULAR DAMAGE UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-11-24 WO disclosed
WO-2011038234-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-03-31 WO disclosed
WO-2011038234-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-03-31 WO 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-20130079361-A1 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS MIF, MSR1, CCL2 ALDH1A1 967/4885NPC1 511/4885RAB9A 2209/4885
US-20130177552-A1 METHODS AND COMPOSITIONS FOR MODULATING OCULAR DAMAGE MIF, MMP1, CXCL12 ALDH1A1 1026/4885NPC1 4321/4885RAB9A 2316/4885
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 ALDH1A1 1138/4885NPC1 468/4885RAB9A 2355/4885
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 ALDH1A1 1138/4885NPC1 468/4885RAB9A 2355/4885

“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.