Iodomethane

Iodomethane

SCHEMBL3453060

C(=Cc1cccc(C=Cc2ccc(N3CCCC3)cc2)n1)c1ccc(N2CCCC2)cc1.CI

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.59
▸ PTGS2 P35354 1/20 0.47
▸ TRIM24 O15164 1/20 0.46
▸ TRIM33 Q9UPN9 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ APP P05067 3/20 0.44
▸ SNCA P37840 1/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43

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
Hydrochloric Acid SCHEMBL2637855 0.94 MAPT (0.62) MAPTPTGS2TRIM24TRIM33ALDH1A1
Hydrochloric Acid SCHEMBL2637856 0.94 MAPT (0.62) MAPTPTGS2TRIM24TRIM33ALDH1A1
Hydrochloric Acid SCHEMBL4787579 0.94 MAPT (0.62) MAPTPTGS2TRIM24TRIM33ALDH1A1
Iodomethane SCHEMBL710788 0.85 MAPT (0.60) MAPTPTGS2TRIM24TRIM33ALDH1A1
Iodomethane SCHEMBL4424533 0.85 MAPT (0.60) MAPTPTGS2TRIM24TRIM33ALDH1A1
SCHEMBL12432783 0.79 MAPT (0.65) MAPTPTGS2TRIM24TRIM33ALDH1A1
SCHEMBL13766546 0.79 TRIM24 (0.68) MAPTPTGS2TRIM24TRIM33ALDH1A1
SCHEMBL7718270 0.77 ALDH1A1 (0.69) MAPTPTGS2TRIM24TRIM33ALDH1A1
SCHEMBL7718267 0.77 ALDH1A1 (0.69) MAPTPTGS2TRIM24TRIM33ALDH1A1
SCHEMBL10771126 0.76 PTGS2 (0.59) MAPTPTGS2TRIM24TRIM33ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 — — US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 — — US disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — US disclosed
EP-1601652-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE Mycosol, Inc. (US) 2005-12-07 — — EP disclosed
WO-2004078136-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL, INC. (US) 2004-09-16 — — 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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP MAPT 1618/4885PTGS2 2333/4885TRIM24 4343/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 MAPT 1062/4885PTGS2 2814/4885TRIM24 4412/4885

“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.

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