SCHEMBL712502

SCHEMBL712502

CCN(CC)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(CC)CC)cc3)[n+]2CC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
NSD2 O96028 1/20 0.56
S100A4 P26447 1/20 0.56
NOD2 Q9HC29 1/20 0.56
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
PPARG P37231 1/20 0.50
BLM P54132 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50

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
SCHEMBL712503 1.00 MEN1 (0.56) MEN1KMT2ARAB9ANPC1NSD2
Hydrochloric Acid SCHEMBL711394 0.98 MEN1 (0.55) MEN1KMT2ARAB9ANPC1NSD2
Hydrochloric Acid SCHEMBL711395 0.98 MEN1 (0.55) MEN1KMT2ARAB9ANPC1NSD2
SCHEMBL14139600 0.89 MEN1 (0.48) MEN1KMT2ARAB9ANPC1NSD2
SCHEMBL10069287 0.85 ACHE (0.68) MEN1KMT2ARAB9ANPC1NSD2
SCHEMBL710606 0.85 MEN1 (0.66) MEN1KMT2ARAB9ANPC1BCHE
SCHEMBL710605 0.85 MEN1 (0.66) MEN1KMT2ARAB9ANPC1BCHE
SCHEMBL13822086 0.85 BCHE (0.50) MEN1KMT2ARAB9ANPC1NSD2
Iodide SCHEMBL8072629 0.84 MEN1 (0.68) MEN1KMT2ARAB9ANPC1NSD2
Hydrochloric Acid SCHEMBL710377 0.84 MEN1 (0.64) MEN1KMT2ARAB9ANPC1BCHE

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 19 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-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 US disclosed
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-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-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS KLEIN RICHARD B 2010-10-21 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-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
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
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 US disclosed
WO-2007086900-A2 STILBAZIUM RESEARCH ASSAYS MYCOSOL, INC. (US) 2007-08-02 WO disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 US 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 (5 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 MEN1 353/4885KMT2A 1264/4885RAB9A 3091/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 MEN1 808/4885KMT2A 1155/4885RAB9A 3300/4885
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects BLVRB, PNPO, PLPBP MEN1 353/4885KMT2A 1264/4885RAB9A 3091/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT MEN1 2265/4885KMT2A 3654/4885RAB9A 4725/4885
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts PNPO, PLPBP, TPMT MEN1 2265/4885KMT2A 3654/4885RAB9A 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.