SCHEMBL4754404

SCHEMBL4754404

CCC(C(=O)O)C(N)c1c(I)cc(I)cc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
TBXA2R P21731 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34
TTR P02766 3/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ADORA3 P0DMS8 2/20 0.32
THRB P10828 2/20 0.32
PDE4D Q08499 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NR1I2 O75469 2/20 0.32
PPARG P37231 2/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL8336119 0.87 TTR (0.33) LMNATBXA2RCYP1A2CYP2C9CHRM1
SCHEMBL8199024 0.72 ALDH1A1 (0.37) LMNATDP1THRBALDH1A1
SCHEMBL3831293 0.71 TDP1 (0.36) LMNATBXA2RCYP1A2CYP2C9CHRM1
SCHEMBL6778049 0.69 FABP3 (0.43) RXRASLC1A3SLC1A2SLC1A1
SCHEMBL9637089 0.69 TTR (0.42) LMNACYP1A2CYP2C9HIF1ATTR
SCHEMBL9696079 0.68 TTR (0.33) LMNATBXA2RCYP1A2CYP2C9CHRM1
SCHEMBL7426518 0.68 DPP4 (0.48) LMNAMEN1KMT2ASLC1A3SLC1A2
SCHEMBL2298439 0.68 DPP4 (0.48) LMNAMEN1KMT2ASLC1A3SLC1A2
SCHEMBL7356667 0.68 SLC1A1 (0.39) NR1I2SLC1A3SLC1A2SLC1A1DPP7
Hydrochloric Acid SCHEMBL6378952 0.68 TPMT (0.39) CYP1A2TDP1MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008144399-A1 COMPLEXES COMPRISING α2-ADRENERGIC RECEPTOR AGONISTS AND COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2008-11-27 WO disclosed
US-20080293728-A1 Complexes Comprising alpha2-Adrenergic Receptor Agonists and Compositions BAUSCH & LOMB INCORPORATED 2008-11-27 US disclosed
US-6602419-B1 Nanofiltration before oxidation BRACCO IMAGINING S.P.A. (IT) 2003-08-05 US disclosed
EP-1133346-B1 A PROCESS FOR THE RECOVERY OF IODINE FROM AQUEOUS SOLUTIONS CONTAINING IODINATED ORGANIC COMPOUNDS BRACCO IMAGING SPA (IT) 2003-03-26 EP disclosed
EP-0703790-B1 IODINATED PARAMAGNETIC CHELATES, AND THEIR USE AS CONTRAST AGENTS BRACCO SPA (IT) 2000-08-16 EP disclosed
US-5660814-A Iodinated paramagnetic chelates, and their use as contrast agents DIBRA S.P.A. (IT) 1997-08-26 US disclosed
US-4925649-A Radioiodinated diacylglycerol analogues and methods of use THE UNIVERSITY OF MICHIGAN (US) 1990-05-15 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 (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-20080293728-A1 Complexes Comprising alpha2-Adrenergic Receptor Agonists and Compositions ADRB2, ADRA2A, ADRA2C LMNA 840/4885TBXA2R 40/4885CYP1A2 749/4885

“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.