Iodide

Iodide

SCHEMBL7129576

CSC1=C(Cc2ccc(Cl)nc2)CCN1C.I

nearest known ligand 0.51

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 9)

geneUniProtsupporting neighboursconfidence
CHRNA1 known ✓ P02708 1/20 0.36
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL7008231 0.68 CHRNA1 (0.50) MEN1KMT2AATMCHRNA1CHRNB2
SCHEMBL7007394 0.66 CHRNA1 (0.45) ALDH1A1CHRNA1CHRNB2CHRNA3CHRNA7
SCHEMBL610954 0.65 KMT2A (0.67) MEN1KMT2AATMALDH1A1CHRNA1
SCHEMBL29814598 0.65 KMT2A (0.67) MEN1KMT2AATMALDH1A1CHRNA1
SCHEMBL7128074 0.63 LMNA (0.38) MEN1KMT2AATMALDH1A1
SCHEMBL1146035 0.63 ALDH1A1 (0.47) ALDH1A1
SCHEMBL30185830 0.63 ALDH1A1 (0.47) ALDH1A1
SCHEMBL24484669 0.61 MEN1 (0.41) MEN1KMT2AATMALDH1A1CHRNA1
SCHEMBL14647650 0.61 CHRNA1 (0.58) MEN1KMT2AATMALDH1A1CHRNA1
SCHEMBL23012579 0.60 CARM1 (0.47) KMT2AALDH1A1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664248-B2 Well tolerated by animals, fish and plants SYNGENTA INVESTMENT CORP. 2003-12-16 US disclosed
US-20030166635-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2003-09-04 US disclosed
US-6506743-B2 Especially for controlling insects. SYNGENTA INVESTMENT CORPORATION 2003-01-14 US disclosed
US-20020068733-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2002-06-06 US disclosed
US-6353001-B1 PESTICIDES, INSECTICIDES, APHIDICIDES AND LARVICIDES SYNGENTA INVESTMENT CORPORATION 2002-03-05 US disclosed
EP-0693066-B1 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-16 EP disclosed
US-6048824-A 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides NOVARTIS CORPORATION (US) 2000-04-11 US disclosed
EP-0693066-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES Novartis AG (CH) 1996-01-24 EP disclosed
WO-1994024124-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-10-27 WO 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 (2 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-20020068733-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides HCN1, HCN2, CNTN1 CHRNA1 232/4885MEN1 1527/4885KMT2A 2135/4885
US-20030166635-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides HCN1, HCN2, CNTN1 CHRNA1 209/4885MEN1 1598/4885KMT2A 2316/4885

“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.