Iodide

Iodide

SCHEMBL336130

Cn1c(N)nc2ccccc21.I

nearest known ligand 0.96

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
SMN1; SMN2 Q16637 2/20 0.59
NOS2 P35228 1/20 0.59
POLB P06746 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
HTT P42858 1/20 0.56
CXCR4 P61073 1/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 2/20 0.56
GAA P10253 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ATM Q13315 1/20 0.55
TLR8 Q9NR97 3/20 0.54
MAPT P10636 1/20 0.50
PRMT5 O14744 1/20 0.50

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
Iodide SCHEMBL336131 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NOS2POLBCYP1A2CYP2D6
SCHEMBL30621933 0.98 SMN1; SMN2 (0.61) SMN1; SMN2NOS2POLBCYP1A2CYP2D6
SCHEMBL149707 0.98 SMN1; SMN2 (0.61) SMN1; SMN2NOS2POLBCYP1A2CYP2D6
SCHEMBL27588340 0.78 POLB (0.49) SMN1; SMN2NOS2POLBCYP1A2CYP2D6
SCHEMBL28115610 0.78 RAB9A (0.48) SMN1; SMN2POLBHTTKDM4ENPC1
Iodide SCHEMBL336205 0.77 SMN1; SMN2 (0.61) SMN1; SMN2POLBHTTKDM4ENPC1
Iodide SCHEMBL336206 0.77 SMN1; SMN2 (0.61) SMN1; SMN2POLBHTTKDM4ENPC1
Iodide SCHEMBL27898886 0.77 SMN1; SMN2 (0.61) SMN1; SMN2POLBHTTKDM4ENPC1
SCHEMBL21555494 0.76 KDM4E (0.65) SMN1; SMN2NOS2POLBCYP1A2CYP2D6
SCHEMBL1171430 0.76 MEN1 (0.69) SMN1; SMN2POLBHTTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097756-B2 Process for producing carboxylic acid anhydrides CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2012-01-17 US claimed
US-20100145098-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ANHYDRIDES CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2010-06-10 US claimed
US-8097756-B2 Process for producing carboxylic acid anhydrides CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2012-01-17 US disclosed
US-20100145098-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ANHYDRIDES CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2010-06-10 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-20100145098-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ANHYDRIDES CA4, CA9, CA7 SMN1; SMN2 2703/4885NOS2 40/4885POLB 362/4885

“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.