SCHEMBL1835868

SCHEMBL1835868

COc1ccc([I+](OC(=O)C(F)(F)F)c2cnc3ccccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
FAAH O00519 1/20 0.39
ALPL P05186 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
IGF1R P08069 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL761110 0.80 CES2 (0.44) SMN1; SMN2KMT2AALDH1A1NPC1RAB9A
SCHEMBL242690 0.80 CES2 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AGAA
SCHEMBL1834219 0.75 KMT2A (0.45) SMN1; SMN2KDM4EKMT2AALDH1A1RAB9A
SCHEMBL27455343 0.70 MGAM (0.47) ALPLSMN1; SMN2KDM4EKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL1835867 0.70 CNR2 (0.40) CNR2FAAHALPLSMN1; SMN2KDM4E
SCHEMBL10492099 0.70 HDAC1 (0.44) SMN1; SMN2KMT2AALDH1A1HPGDLMNA
SCHEMBL10584041 0.70 LTA4H (0.42) CNR2SMN1; SMN2KDM4EKMT2AHPGD
SCHEMBL107377 0.69 CES1 (0.42) FAAH
SCHEMBL3167320 0.68 RAB9A (0.41) KDM4EKMT2AALDH1A1HPGDLMNA
SCHEMBL7584607 0.68 LTA4H (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466313-B2 Fluoridation of iodonium salts GE HEALTHCARE LIMITED (GB) 2013-06-18 US disclosed
US-20110144344-A1 FLUORIDATION OF IODONIUM SALTS GE HEALTHCARE LIMITED (GB) 2011-06-16 US disclosed
EP-2321237-A2 IMPROVED FLUORIDATION OF IODONIUM SALTS GE Healthcare UK Limited (GB) 2011-05-18 EP disclosed
WO-2010018218-A2 IMPROVED FLUORIDATION OF IODONIUM SALTS GE HEALTHCARE LIMITED (GB) 2010-02-18 WO disclosed
WO-2007141529-A1 FLUORIDATION METHOD GE HEALTHCARE LIMITED (GB) 2007-12-13 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 (1 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-20110144344-A1 FLUORIDATION OF IODONIUM SALTS ARF5, IPO5, SAMHD1 CNR2 4473/4885FAAH 1372/4885ALPL 1625/4885

“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.