SCHEMBL13911035

SCHEMBL13911035

O=C(c1ccccc1)c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CNR2 P34972 4/20 0.43
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL12216704 0.87 BACE1 (0.52) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL12544643 0.84 RAB9A (0.56) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL1108033 0.84 RAB9A (0.55) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL13911057 0.83 MEN1 (0.46) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL13355627 0.81 MEN1 (0.68) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL12239728 0.81 RAB9A (0.50) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL12239726 0.81 BACE1 (0.42) BACE1CA1CA2ALDH1A1HSD17B1
SCHEMBL14255576 0.79 BACE1 (0.43) RAB9ABACE1CA12CA9ALDH1A1
SCHEMBL12861800 0.77 BACE1 (0.47) RAB9ACNR2BACE1CA12CA9
SCHEMBL12948078 0.77 ALDH1A1 (0.52) MEN1RAB9AKMT2ALMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 — — 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 (1 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-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME RRS1, RPS3, ADRM1 MEN1 2975/4885RAB9A 1314/4885KMT2A 2647/4885

“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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