Iodide

Iodide

SCHEMBL3773658

I.N=C(N)c1ccc(F)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
PLAU P00749 2/20 0.56
MASP2 O00187 1/20 0.56
THPO P40225 1/20 0.56
PRSS1 P07477 6/20 0.54
PRSS3 P35030 4/20 0.54
F2 P00734 3/20 0.54
APEX1 P27695 1/20 0.54
NQO2 P16083 1/20 0.53
F10 P00742 2/20 0.52
F12 P00748 1/20 0.52
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
PKM P14618 1/20 0.52
ST14 Q9Y5Y6 1/20 0.52
PRMT5 O14744 1/20 0.52
PRMT1 Q99873 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL523255 0.97 LMNA (0.59) LMNAPLAUMASP2THPOPRSS1
Hydrochloric Acid SCHEMBL1019443 0.95 PRSS1 (0.61) LMNAPLAUMASP2THPOPRSS1
Hydrochloric Acid SCHEMBL9342671 0.92 LMNA (0.54) LMNAPLAUMASP2THPOPRSS1
Hydrochloric Acid SCHEMBL22686316 0.92 PRSS1 (0.58) LMNAPLAUMASP2THPOPRSS1
Alcohol SCHEMBL27821190 0.86 PRSS1 (0.54) LMNAPLAUMASP2THPOPRSS1
Acetic Acid SCHEMBL6179057 0.84 NQO2 (0.73) PRSS1PRSS3F2NQO2F10
SCHEMBL13270794 0.84 ST14 (0.79) PLAUPRSS1PRSS3F2F10
SCHEMBL8722515 0.84 PRSS1 (0.55) LMNAPLAUMASP2THPOPRSS1
SCHEMBL537030 0.83 LMNA (0.77) LMNAPLAUMASP2THPOPRSS1
Hydrochloric Acid SCHEMBL392375 0.80 PRSS1 (0.78) LMNAPLAUMASP2THPOPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 LMNA 3346/4885PLAU 3493/4885MASP2 4626/4885

“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.