SCHEMBL10068871

SCHEMBL10068871

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.54
▸ MAPT P10636 11/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ LMNA P02545 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MITF O75030 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ APP P05067 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
Stilbazium SCHEMBL6446924 0.89 MAPT (0.46) ACHEMAPTSMN1; SMN2LMNAL3MBTL1
Stilbazium SCHEMBL636482 0.87 SNCA (0.47) ACHEMAPTSMN1; SMN2LMNAL3MBTL1
Stilbazium SCHEMBL636481 0.87 SNCA (0.47) ACHEMAPTSMN1; SMN2LMNAL3MBTL1
Stilbazium SCHEMBL710325 0.87 MAPT (0.44) ACHEMAPTSMN1; SMN2LMNAL3MBTL1
Stilbazium SCHEMBL710326 0.87 MAPT (0.44) ACHEMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL14139607 0.86 ACHE (0.54) ACHEMAPTALDH1A1KMT2AESR1
SCHEMBL10069282 0.84 ACHE (0.68) ACHEMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL10069214 0.80 DRD4 (0.54) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9915631 0.78 MAPT (0.73) ACHEMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL10068872 0.77 INSR (0.44) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1

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 8 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-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 — — 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
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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — US 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 (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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP ACHE 39/4885MAPT 1618/4885SMN1; SMN2 4041/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 ACHE 289/4885MAPT 1062/4885SMN1; SMN2 4529/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT ACHE 226/4885MAPT 2157/4885SMN1; SMN2 3012/4885

“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.

Send feedback