SCHEMBL10069282

SCHEMBL10069282

C[n+]1c(/C=C/c2ccc(N3CCOCC3)cc2)cccc1/C=C/c1ccc(N2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.68
▸ MAPT P10636 8/20 0.54
▸ MITF O75030 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ BCHE P06276 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ APP P05067 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SNCA P37840 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 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
SCHEMBL14536918 0.88 SNCA (0.54) ACHEMAPTSMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL712985 0.86 SNCA (0.53) ACHEMAPTSMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL3451810 0.86 SNCA (0.53) ACHEMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL10069285 0.85 ACHE (0.68) ACHEMAPTALDH1A1KMT2AKDM4E
SCHEMBL10068871 0.84 ACHE (0.54) ACHEMAPTMITFSMN1; SMN2NPC1
SCHEMBL17360041 0.83 MAPT (0.58) ACHEMAPTMITFSMN1; SMN2NPC1
SCHEMBL17360043 0.83 MAPT (0.58) ACHEMAPTMITFSMN1; SMN2NPC1
SCHEMBL9915631 0.82 MAPT (0.73) ACHEMAPTMITFSMN1; SMN2NPC1
Iodide SCHEMBL17360079 0.81 ACHE (0.60) ACHEMAPTMITFSMN1; SMN2NPC1
Iodide SCHEMBL17360078 0.81 ACHE (0.60) ACHEMAPTMITFSMN1; SMN2NPC1

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-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-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 — — US disclosed
EP-1601652-B1 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL INC (US) 2008-07-30 — — EP disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 — — 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 (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-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 ACHE 289/4885MAPT 1062/4885MITF 2854/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT ACHE 226/4885MAPT 2157/4885MITF 4219/4885

“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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