SCHEMBL2333941

SCHEMBL2333941

COc1cc[n+](C(I)CCCCCCCCC(I)[n+]2ccc(OC)c3ccccc32)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.34
IDO1 P14902 1/20 0.33
EP300 Q09472 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
NQO1 P15559 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30
HPGDS O60760 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14739219 0.78 CHKA (0.40) ALDH1A1
SCHEMBL14740376 0.76 CHKA (0.41) ALDH1A1
SCHEMBL14739176 0.73 CHKA (0.41) ALDH1A1
SCHEMBL2332858 0.70 BCHE (0.46)
Iodide SCHEMBL2333938 0.70 KDM4E (0.48) ALDH1A1
SCHEMBL14740161 0.70 RAB9A (0.41)
SCHEMBL2333211 0.69 ACHE (0.33) SLC2A1EP300
SCHEMBL14739304 0.69 CHKA (0.43) ALDH1A1
SCHEMBL6334665 0.68 RAB9A (0.47) IDO1EP300KAT8NQO1IMPDH2
SCHEMBL2799728 0.66 IDO1 (0.41) IDO1EP300KAT8NQO1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150196652-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2015-07-16 US disclosed
US-9024005-B2 Nucleic acid complexes PROCARTA BIOSYSTEMS LTD (GB) 2015-05-05 US disclosed
US-20140274800-A1 TRANSCRIPTION FACTOR DECOYS FOR THE TREATMENT AND PREVENTION OF INFECTIONS CAUSED BY BACTERIA INCLUDING CLOSTRIDIUM DIFFICILE PROCARTA BIOSYSTEMS LTD. (GB) 2014-09-18 US disclosed
US-20130252881-A1 Transcription Factor Decoys PROCARTA BIOSYSTEMS LTD. (GB) 2013-09-26 US disclosed
US-20130059775-A1 Nucleic Acid Complexes PROCARTA BIOSYSTEMS LTD (GB) 2013-03-07 US disclosed
WO-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 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-20150196652-A1 NUCLEIC ACID COMPLEXES ZFR, SUB1, RELA SLC2A1 2777/4885IDO1 3222/4885EP300 894/4885
US-20130059775-A1 Nucleic Acid Complexes ZFR, SUB1, RELA SLC2A1 2777/4885IDO1 3222/4885EP300 894/4885

“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.