SCHEMBL12720904

SCHEMBL12720904

O=C(N/N=C/c1ccc2cccc(O)c2n1)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ KDM4E B2RXH2 6/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ POLB P06746 3/20 0.58
▸ NPC1 O15118 12/20 0.54
▸ RAB9A P51151 11/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ HTT P42858 2/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ MITF O75030 1/20 0.53
▸ AGTR1 P30556 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ GAA P10253 4/20 0.51
▸ PKM P14618 4/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ HPGD P15428 1/20 0.49

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
SCHEMBL12720844 0.87 KDM4E (0.66) MAPTKMT2ALMNATDP1KDM4E
SCHEMBL12720853 0.84 NPC1 (0.52) MAPTKMT2ALMNAKDM4EPOLB
SCHEMBL12720902 0.83 KDM4E (0.54) MAPTKMT2ALMNAKDM4EALDH1A1
SCHEMBL16823396 0.81 KDM4E (0.72) MAPTKMT2ALMNATDP1KDM4E
SCHEMBL16823395 0.81 KDM4E (0.72) MAPTKMT2ALMNATDP1KDM4E
SCHEMBL12720831 0.78 NPC1 (0.73) MAPTKMT2ALMNAKDM4EALDH1A1
SCHEMBL12720910 0.78 RAB9A (0.58) MAPTKMT2ALMNATDP1KDM4E
SCHEMBL18114762 0.77 NPC1 (0.64) MAPTKMT2ATDP1KDM4EPOLB
SCHEMBL18114766 0.77 NPC1 (0.64) MAPTKMT2ATDP1KDM4EPOLB
SCHEMBL12720896 0.77 NPC1 (0.64) MAPTKMT2ATDP1KDM4EPOLB

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-7928049-B2 Use of metal complex compounds as oxidation catalysts BASF SE Ludwigshafen (DE) 2011-04-19 — — US disclosed
US-7928049-B2 Use of metal complex compounds as oxidation catalysts BASF SE Ludwigshafen (DE) 2011-04-19 — — US disclosed
US-20110021407-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA CORPORATION (US) 2011-01-27 — — US disclosed
US-20110021407-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA CORPORATION (US) 2011-01-27 — — US disclosed
WO-2009013163-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (CH) 2009-01-29 — — WO 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-20110021407-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS SOD1, MPO, LPO MAPT 1746/4885KMT2A 2058/4885LMNA 2474/4885

“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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