Iodide

Iodide

SCHEMBL6706501

CCOC(=O)c1cccc(N2CCN(Cc3ccccc3)CC2)c1.I

nearest known ligand 0.66

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 15)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.66
DRD2 P14416 2/20 0.56
DRD3 P35462 1/20 0.56
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
DRD4 P21917 1/20 0.52
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL6707329 0.99 PRMT1 (0.67) PRMT1DRD2DRD3LMNAMAPK1
SCHEMBL28078043 0.88 PRMT1 (0.58) PRMT1LMNAMAPK1HTR1AHTR7
SCHEMBL7388920 0.87 ALDH1A1 (0.65) DRD2DRD3LMNAALDH1A1TSHR
SCHEMBL3318522 0.85 PRMT1 (0.68) PRMT1LMNAMAPK1ALDH1A1TSHR
SCHEMBL2323421 0.83 DRD2 (0.64) DRD2DRD3LMNAMAPK1ALDH1A1
SCHEMBL4021071 0.82 DRD2 (0.68) DRD2DRD3LMNAMAPK1ALDH1A1
SCHEMBL6420684 0.82 ALOX5 (0.52) PRMT1DRD2LMNAMAPK1ALDH1A1
SCHEMBL6706537 0.82 TMEM97 (0.54) LMNAMAPK1ALDH1A1TSHRHTR1A
SCHEMBL6011450 0.82 ALDH1A1 (0.56) LMNAMAPK1ALDH1A1TSHRMAPT
SCHEMBL8698788 0.81 PLOD2 (0.56) LMNAMAPK1ALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-30 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-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof NPY1R, ADCY1, SRD5A1 PRMT1 699/4885DRD2 368/4885DRD3 115/4885

“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.