SCHEMBL3682013

SCHEMBL3682013

Oc1ccccc1N=Cc1ccc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPFFR1 Q9GZQ6 4/20 0.62
▸ NPFFR2 Q9Y5X5 4/20 0.62
▸ ALDH1A1 P00352 5/20 0.44
▸ SLC9A1 P19634 1/20 0.43
▸ TNFRSF1A P19438 3/20 0.43
▸ LMNA P02545 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL3764031 1.00 NPFFR1 (0.62) NPFFR1NPFFR2ALDH1A1SLC9A1TNFRSF1A
SCHEMBL3680711 0.86 NPFFR1 (0.55) NPFFR1NPFFR2ALDH1A1SLC9A1TNFRSF1A
SCHEMBL3765671 0.86 NPFFR1 (0.55) NPFFR1NPFFR2ALDH1A1SLC9A1TNFRSF1A
SCHEMBL3765667 0.86 NPFFR1 (0.55) NPFFR1NPFFR2ALDH1A1SLC9A1TNFRSF1A
SCHEMBL3770162 0.86 NPFFR1 (0.55) NPFFR1NPFFR2ALDH1A1SLC9A1TNFRSF1A
SCHEMBL3769966 0.85 NPFFR1 (0.54) NPFFR1NPFFR2ALDH1A1SLC9A1TNFRSF1A
SCHEMBL3678992 0.85 NPFFR1 (0.54) NPFFR1NPFFR2ALDH1A1SLC9A1TNFRSF1A
SCHEMBL3769958 0.84 NPFFR1 (0.53) NPFFR1NPFFR2ALDH1A1SLC9A1TNFRSF1A
SCHEMBL3677905 0.84 NPFFR1 (0.53) NPFFR1NPFFR2ALDH1A1SLC9A1TNFRSF1A
SCHEMBL3685385 0.82 KDM4E (0.49) NPFFR1NPFFR2ALDH1A1LMNAPOLB

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 8 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-2155379-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) 2010-02-24 — — EP disclosed
WO-2009015922-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) 2009-02-05 — — WO 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 NPFFR1 1999/4885NPFFR2 2601/4885ALDH1A1 1577/4885

“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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