SCHEMBL10069295

SCHEMBL10069295

CC(C)C[n+]1c(/C=C/c2ccc(-n3cccc3)cc2)cccc1/C=C/c1ccc(-n2cccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 1/20 0.40
▸ RAB9A P51151 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ VHL P40337 1/20 0.33
▸ ELOC Q15369 1/20 0.33
▸ ELOB Q15370 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 2/20 0.30

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
SCHEMBL10069208 0.84 MAOB (0.46) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL10068872 0.84 INSR (0.44) INSRRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL13126885 0.82 ALOX5 (0.42) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL10069299 0.80 NFE2L2 (0.41) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL10069298 0.79 KMT2A (0.43) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL10069303 0.79 NFE2L2 (0.42) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL13126892 0.79 RAB9A (0.37) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL13126841 0.79 ACHE (0.40) INSRRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL10069294 0.78 RAB9A (0.39) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL10069275 0.77 INSR (0.37) INSRNPSR1L3MBTL1VHLELOC

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 6 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

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 INSR 3656/4885RAB9A 3091/4885ALDH1A1 3349/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 INSR 3997/4885RAB9A 3300/4885ALDH1A1 3438/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT INSR 3628/4885RAB9A 4725/4885ALDH1A1 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.

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