SCHEMBL10069287

SCHEMBL10069287

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.68
BCHE P06276 5/20 0.68
ALDH1A1 P00352 7/20 0.50
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
MEN1 O00255 10/20 0.47
KMT2A Q03164 10/20 0.47
MAPT P10636 8/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL712502 0.85 MEN1 (0.56) ACHEBCHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL712503 0.85 MEN1 (0.56) ACHEBCHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL10069284 0.84 BCHE (0.51) ACHEBCHEALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL711394 0.84 MEN1 (0.55) ACHEBCHEALDH1A1ALDH3A1ALDH1A3
Hydrochloric Acid SCHEMBL711395 0.84 MEN1 (0.55) ACHEBCHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL3748599 0.83 RAB9A (0.60) ACHEBCHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL4567105 0.83 RAB9A (0.60) ACHEBCHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL8171054 0.82 ALDH1A1 (0.71) ACHEBCHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL2298602 0.82 ALDH1A1 (0.71) ACHEBCHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL2298605 0.82 ALDH1A1 (0.71) ACHEBCHEALDH1A1ALDH3A1ALDH1A3

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-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
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 39/4885BCHE 43/4885ALDH1A1 3349/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 ACHE 289/4885BCHE 278/4885ALDH1A1 3438/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT ACHE 226/4885BCHE 457/4885ALDH1A1 1496/4885

“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.