SCHEMBL10069215

SCHEMBL10069215

CC[n+]1c(/C=C/c2ccc(-n3c(C)ccc3C)cc2)cccc1/C=C/c1ccc(-n2c(C)ccc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.42
▸ KMT2A Q03164 9/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ HTT P42858 5/20 0.42
▸ POLB P06746 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ MAPT P10636 7/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ KDM4E B2RXH2 6/20 0.36
▸ HPGD P15428 3/20 0.36

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
SCHEMBL13126885 0.84 ALOX5 (0.42) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL13127035 0.83 ALOX5 (0.39) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL13126958 0.83 ALOX5 (0.41) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL13126945 0.80 NFE2L2 (0.44) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL10068872 0.80 INSR (0.44) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL13126563 0.79 MEN1 (0.32) MEN1KMT2AALDH1A1RAB9AHTT
Stilbazium SCHEMBL6446924 0.78 MAPT (0.46) MEN1KMT2AALDH1A1RAB9AHTT
Stilbazium SCHEMBL636482 0.77 SNCA (0.47) MEN1KMT2AALDH1A1RAB9AHTT
Stilbazium SCHEMBL710326 0.77 MAPT (0.44) MEN1KMT2AALDH1A1RAB9AHTT
Stilbazium SCHEMBL636481 0.77 SNCA (0.47) MEN1KMT2AALDH1A1RAB9AHTT

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-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

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 MEN1 353/4885KMT2A 1264/4885ALDH1A1 3349/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 MEN1 808/4885KMT2A 1155/4885ALDH1A1 3438/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT MEN1 2265/4885KMT2A 3654/4885ALDH1A1 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.

Send feedback