Iodide

Iodide

SCHEMBL9958847

I.c1ccc2c(c1)ncc1[nH]c3ccccc3c12

nearest known ligand 0.57

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 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.57
GABRG2 P18507 9/20 0.57
GABRB3 P28472 9/20 0.57
GABRA5 P31644 9/20 0.57
GABRA3 P34903 9/20 0.57
GABRA2 P47869 9/20 0.57
GABRP O00591 6/20 0.57
GABRD O14764 6/20 0.57
GABRB1 P18505 6/20 0.57
GABRB2 P47870 6/20 0.57
GABRA4 P48169 6/20 0.57
GABRE P78334 6/20 0.57
GABRA6 Q16445 6/20 0.57
GABRG1 Q8N1C3 6/20 0.57
GABRG3 Q99928 6/20 0.57
GABRQ Q9UN88 6/20 0.57
TOP2A P11388 2/20 0.56
CDK4 P11802 1/20 0.52
CCND1 P24385 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
SCHEMBL3228276 0.98 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29388457 0.98 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27074281 0.83 ACHE (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3233124 0.83 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1198673 0.81 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9950603 0.80 GABRP (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30214465 0.80 TOP2A (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10500769 0.80 TOP2A (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12240630 0.79 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27014545 0.78 TOP2A (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288410-B2 3-substituted quinolinium and 7H-indolo[2,3-c]quinolinium salts as new antiinfectives FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2012-10-16 US disclosed
US-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY 2012-06-28 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-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES IDO1, IDO2, NQO2 GABRA1 2154/4885GABRG2 2806/4885GABRB3 1145/4885

“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.