SCHEMBL22645201

SCHEMBL22645201

O=C(CCl)Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 8/20 0.45
ALDH1A1 P00352 9/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
GAA P10253 1/20 0.38
HTT P42858 3/20 0.37
NPC1 O15118 3/20 0.37
MITF O75030 2/20 0.37
RAB9A P51151 2/20 0.37
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RNF4 P78317 1/20 0.34
PRMT1 Q99873 1/20 0.33

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
Hydrochloric Acid SCHEMBL11394886 0.98 TSHR (0.45) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL11387992 0.90 TSHR (0.40) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL22661229 0.85 TSHR (0.39) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL8743099 0.85 ALDH1A1 (0.40) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL11391686 0.84 SMN1; SMN2 (0.41) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL8727104 0.82 TSHR (0.47) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL11387512 0.82 TSHR (0.47) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL8198908 0.81 MAPK1 (0.72) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL9009086 0.79 TSHR (0.53) TSHRMAPK1LMNASMN1; SMN2GAA
Diprotrizoate SCHEMBL1859049 0.77 LMNA (0.49) TSHRMAPK1LMNAALDH1A1SMN1; SMN2

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
CN-118026876-A Preparation method of ioversol 浙江海洲制药股份有限公司 2024-05-14 CN disclosed
EP-3580199-B1 METHOD FOR THE ONE-POT PRODUCTION OF ORGANO-IODINATED COMPOUNDS GUERBET SA (FR) 2023-04-05 EP disclosed
CN-110267937-B Method for producing organic iodinated compound by one-pot method 法国加柏公司 2022-09-23 CN disclosed
US-10836711-B2 Method for the one-pot production of organo-iodinated compounds GUERBET (FR) 2020-11-17 US disclosed
US-10836711-B2 Method for the one-pot production of organo-iodinated compounds GUERBET (FR) 2020-11-17 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-10836711-B2 Method for the one-pot production of organo-iodinated compounds TPO, NISCH, PPIP5K2 TSHR 57/4885MAPK1 2578/4885LMNA 3525/4885

“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.