SCHEMBL3763988

SCHEMBL3763988

O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cc([N+](=O)[O-])ccc3O)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.66
▸ KMT2A Q03164 12/20 0.65
▸ MEN1 O00255 11/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ KDM4E B2RXH2 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ HTT P42858 1/20 0.56
▸ CDK2 P24941 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ TNNI3 P19429 1/20 0.52
▸ TNNT2 P45379 1/20 0.52
▸ TNNC1 P63316 1/20 0.52
▸ LMNA P02545 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ CISD1 Q9NZ45 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL3684656 1.00 MAPT (0.66) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3682237 0.88 MAPT (0.71) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3759468 0.88 MAPT (0.71) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11772164 0.81 CDK2 (0.54) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11772159 0.81 CDK2 (0.54) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3762518 0.80 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3681296 0.80 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3765230 0.76 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3765227 0.76 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL22749158 0.75 CDK2 (0.74) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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-8426540-B2 Tridentate ligand compounds with imino furan units, method for manufacturing said compounds, and their use in the preparation of catalysts for the homopolymerisation and copolymerisation of ethylene and alpha-olefins TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2013-04-23 — — US claimed
US-20100311930-A1 New Tridentate Ligand Compounds with Imino Furan Units, Method for Manufacturing Said Compounds, and their use in the Preparation of Catalysts for the Homopolymerisation and Copolymerisation of Ethylene and Alpha-Olefins TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2010-12-09 — — US claimed
EP-2003125-A1 NEW TRIDENTATE LIGAND COMPOUNDS WITH IMINO FURAN UNITS, METHOD FOR MANUFACTURING SAID COMPOUNDS, AND THEIR USE IN THE PREPARATION OF CATALYSTS FOR THE HOMOPOLYMERISATION AND COPOLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2008-12-17 — — EP claimed
US-8426540-B2 Tridentate ligand compounds with imino furan units, method for manufacturing said compounds, and their use in the preparation of catalysts for the homopolymerisation and copolymerisation of ethylene and alpha-olefins TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2013-04-23 — — US disclosed
US-20100311930-A1 New Tridentate Ligand Compounds with Imino Furan Units, Method for Manufacturing Said Compounds, and their use in the Preparation of Catalysts for the Homopolymerisation and Copolymerisation of Ethylene and Alpha-Olefins TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2010-12-09 — — US disclosed
EP-2003125-A1 NEW TRIDENTATE LIGAND COMPOUNDS WITH IMINO FURAN UNITS, METHOD FOR MANUFACTURING SAID COMPOUNDS, AND THEIR USE IN THE PREPARATION OF CATALYSTS FOR THE HOMOPOLYMERISATION AND COPOLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2008-12-17 — — EP 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-20100311930-A1 New Tridentate Ligand Compounds with Imino Furan Units, Method for Manufacturing Said Compounds, and their use in the Preparation of Catalysts for the Homopolymerisation and Copolymerisation of Ethylene and Alpha-Olefins FDFT1, ETFB, ETFA MAPT 1984/4885KMT2A 4413/4885MEN1 1246/4885

“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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