Iodomethane

Iodomethane

SCHEMBL710788

C(=Cc1ccccn1)c1ccc(N2CCCC2)cc1.CI

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.60
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ PTGS2 P35354 2/20 0.45
▸ APP P05067 2/20 0.45
▸ SNCA P37840 1/20 0.45
▸ TRIM24 O15164 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
Iodomethane SCHEMBL4424533 1.00 MAPT (0.60) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL12432783 0.95 MAPT (0.65) MAPTNPC1RAB9AMEN1KMT2A
Iodomethane SCHEMBL3453060 0.85 MAPT (0.59) MAPTNPC1RAB9AMEN1KMT2A
Iodomethane SCHEMBL5515176 0.79 MAPT (0.52) MAPTPTGS2APPSNCATRIM24
Hydrochloric Acid SCHEMBL4787579 0.78 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL2637855 0.78 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL2637856 0.78 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10771126 0.77 PTGS2 (0.59) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28595722 0.77 KMT2A (0.80) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL29419010 0.77 KMT2A (0.80) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 — — US disclosed
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS KLEIN RICHARD B 2010-10-21 — — US disclosed
US-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 — — US disclosed
WO-2008088917-A2 METHODS OF USING PYRIDINIUM AND THIAZOLIUM COMPOUNDS AS REAGENTS, DIAGNOSTIC COMPOUNDS AND THERAPEUTIC AGENTS MYCOSOL, INC. (US) 2008-07-24 — — WO disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 — — US disclosed
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. 2004-11-25 — — US disclosed
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. 2004-11-11 — — 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 (3 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-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects BLVRB, PNPO, PLPBP MAPT 1618/4885NPC1 3954/4885RAB9A 3091/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT MAPT 2157/4885NPC1 3038/4885RAB9A 4725/4885
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts PNPO, PLPBP, TPMT MAPT 2157/4885NPC1 3038/4885RAB9A 4725/4885

“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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