SCHEMBL407150

SCHEMBL407150

FC(F)(F)c1ccc2cn[c]nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
KDM4E B2RXH2 1/20 0.42
METAP2 P50579 1/20 0.42
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
PARP1 P09874 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ILK Q13418 1/20 0.34
PFKFB3 Q16875 1/20 0.33
NPBWR1 P48145 1/20 0.33
MAOB P27338 1/20 0.33
DYRK1A Q13627 1/20 0.33
CNR2 P34972 1/20 0.33
ESR1 P03372 1/20 0.33
PDE10A Q9Y233 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL406855 0.86 BACE1 (0.50) BACE1KDM4EMETAP2PKMEPHX2
SCHEMBL406789 0.76 BACE1 (0.41) BACE1KDM4EKMT2AALDH1A1GAA
SCHEMBL5332633 0.75 NPC1 (0.41) PKMSCN4AMAOBDYRK1APDE10A
SCHEMBL406456 0.73 BACE1 (0.43) BACE1KDM4EMETAP2PKMMEN1
SCHEMBL2303882 0.72 CYP1A2 (0.45) BACE1KDM4EKMT2AALDH1A1LMNA
SCHEMBL407628 0.72 NR4A2 (0.41) BACE1KDM4EMEN1KMT2ADYRK1A
SCHEMBL406493 0.72 BACE1 (0.42) BACE1KDM4EMETAP2MEN1KMT2A
SCHEMBL30302487 0.71 NFKB1 (0.46) BACE1KDM4EMETAP2MEN1KMT2A
SCHEMBL20660881 0.71 NFKB1 (0.46) BACE1KDM4EMETAP2MEN1KMT2A
SCHEMBL5331420 0.70 CYP11B2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP disclosed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 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 (4 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885KDM4E 1092/4885METAP2 1276/4885
US-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S BACE1 1846/4885KDM4E 736/4885METAP2 2264/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S BACE1 2744/4885KDM4E 3264/4885METAP2 1243/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885KDM4E 1092/4885METAP2 1276/4885

“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.