SCHEMBL10069275

SCHEMBL10069275

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 1/20 0.37
▸ VHL P40337 1/20 0.33
▸ ELOC Q15369 1/20 0.33
▸ ELOB Q15370 1/20 0.33
▸ ERBB2 P04626 2/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ AOC2 O75106 1/20 0.31
▸ NSD2 O96028 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GRK2 P25098 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ CTDSP1 Q9GZU7 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL13127033 0.84 MAOB (0.43) KDM4E
SCHEMBL10068872 0.81 INSR (0.44) INSRVHLELOCELOBAOC2
SCHEMBL10069911 0.81 MAPT (0.43) KDM4E
SCHEMBL13127035 0.81 ALOX5 (0.39) ERBB2NFE2L2AOC2POLBKDM4E
SCHEMBL14139762 0.80 AHR (0.45) ERBB2NFE2L2
SCHEMBL10069274 0.79 NFE2L2 (0.51) ERBB2NFE2L2KDM4EGAA
SCHEMBL10069295 0.77 INSR (0.40) INSRVHLELOCELOBNSD2
SCHEMBL13126558 0.77 CYP1A2 (0.39) ERBB2NFE2L2
SCHEMBL13126554 0.75 NFE2L2 (0.40) NFE2L2POLBKDM4E
SCHEMBL13860855 0.75 P4HB (0.37) POLBKDM4EL3MBTL1

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 3656/4885VHL 4158/4885ELOC 2912/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 INSR 3997/4885VHL 2804/4885ELOC 3126/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT INSR 3628/4885VHL 2773/4885ELOC 3935/4885

“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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