SCHEMBL4467681

SCHEMBL4467681

Nc1cc(I)c2cccnc2c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.72
MEN1 O00255 7/20 0.72
KMT2A Q03164 7/20 0.72
HSP90AA1 P07900 6/20 0.72
HTT P42858 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
TDP1 Q9NUW8 5/20 0.72
ALDH1A1 P00352 5/20 0.72
TP53 P04637 4/20 0.72
LMNA P02545 4/20 0.72
USP2 O75604 3/20 0.72
ALOX15 P16050 3/20 0.72
SLC6A2 P23975 3/20 0.72
HPGD P15428 2/20 0.72
MAPK1 P28482 2/20 0.72
HIF1A Q16665 2/20 0.72
HSP90AB1 P08238 2/20 0.72
EGFR P00533 1/20 0.72
ERBB2 P04626 1/20 0.72
LCK P06239 1/20 0.72

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
SCHEMBL30153812 1.00 KDM4E (0.72) KDM4EMEN1KMT2AHSP90AA1HTT
Hydrochloric Acid SCHEMBL16004700 0.98 HSP90AA1 (0.70) KDM4EMEN1KMT2AHSP90AA1HTT
Iodoquinol SCHEMBL3460 0.84 KDM4E (1.00) KDM4EMEN1KMT2AHSP90AA1HTT
Iodoquinol SCHEMBL29606817 0.84 KDM4E (1.00) KDM4EMEN1KMT2AHSP90AA1HTT
Iodoquinol SCHEMBL29367180 0.84 KDM4E (1.00) KDM4EMEN1KMT2AHSP90AA1HTT
Iodoquinol SCHEMBL28536045 0.82 KDM4E (0.96) KDM4EMEN1KMT2AHSP90AA1HTT
Iodoquinol SCHEMBL28519246 0.82 KDM4E (0.96) KDM4EMEN1KMT2AHSP90AA1HTT
Iodoquinol SCHEMBL2532141 0.82 KDM4E (0.96) KDM4EMEN1KMT2AHSP90AA1HTT
Iodoquinol SCHEMBL28518289 0.82 KDM4E (0.96) KDM4EMEN1KMT2AHSP90AA1HTT
SCHEMBL112466 0.79 KDM4E (0.76) KDM4EMEN1KMT2AHSP90AA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
US-20150025044-A1 IDENTIFICATION AND USE OF COMPOUNDS THAT AFFECT THE FIDELITY OF EUKARYOTIC TRANSLATION INITIATION CODON SELECTION THE JOHNS HOPKINS UNIVERSITY 2015-01-22 US disclosed
US-20150025044-A1 IDENTIFICATION AND USE OF COMPOUNDS THAT AFFECT THE FIDELITY OF EUKARYOTIC TRANSLATION INITIATION CODON SELECTION THE JOHNS HOPKINS UNIVERSITY 2015-01-22 US disclosed
US-8828976-B2 Identification and use of compounds that affect the fidelity of eukaryotic translation initiation codon selection THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-09 US disclosed
US-8828976-B2 Identification and use of compounds that affect the fidelity of eukaryotic translation initiation codon selection THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-09 US disclosed
US-20110230451-A1 IDENTIFICATION AND USE OF COMPOUNDS THAT AFFECT THE FIDELITY OF EUKARYOTIC TRANSLATION INITIATION CODON SELECTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-22 US disclosed
US-20110230451-A1 IDENTIFICATION AND USE OF COMPOUNDS THAT AFFECT THE FIDELITY OF EUKARYOTIC TRANSLATION INITIATION CODON SELECTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-22 US disclosed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 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 (2 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-20110230451-A1 IDENTIFICATION AND USE OF COMPOUNDS THAT AFFECT THE FIDELITY OF EUKARYOTIC TRANSLATION INITIATION CODON SELECTION EEF2K, RIOX2, EIF5B KDM4E 2950/4885MEN1 2783/4885KMT2A 3392/4885
US-20150025044-A1 IDENTIFICATION AND USE OF COMPOUNDS THAT AFFECT THE FIDELITY OF EUKARYOTIC TRANSLATION INITIATION CODON SELECTION EEF2K, RIOX2, EIF5B KDM4E 2950/4885MEN1 2783/4885KMT2A 3392/4885

“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.