SCHEMBL3932483

SCHEMBL3932483

N#CC(=O)c1cccc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.61
CES1 P23141 5/20 0.61
BCHE P06276 1/20 0.61
HPGD P15428 2/20 0.51
ALB P02768 1/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
KAT6A Q92794 3/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
CYP11B1 P15538 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35

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
SCHEMBL6934144 0.83 CES2 (0.58) CES2CES1BCHEHPGDALB
SCHEMBL3930146 0.81 KAT6A (0.43) CES2CES1BCHEHPGDALDH1A1
SCHEMBL6604138 0.77 CES2 (0.57) CES2CES1BCHEHPGDALB
SCHEMBL3184940 0.76 CES2 (1.00) CES2CES1BCHEHPGDALB
SCHEMBL3440833 0.76 CES2 (0.74) CES2CES1BCHEHPGDALB
SCHEMBL3563696 0.76 CES2 (0.55) CES2CES1BCHEHPGDALB
SCHEMBL8517295 0.75 ALDH1A1 (0.46) CES2CES1HPGDALDH1A1ALOX15
SCHEMBL5613020 0.75 CES2 (0.65) CES2CES1BCHEHPGDALB
SCHEMBL8383833 0.74 CES2 (0.48) CES2CES1BCHEHPGDALB
SCHEMBL9419922 0.74 CES2 (0.53) CES2CES1BCHEHPGDALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043656-B1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIV GREENWICH (GB) 2014-02-12 EP disclosed
US-20130005732-A1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIVERSITY OF GREENWICH (GB) 2013-01-03 US disclosed
US-8268823-B2 Medical use of triazine derivatives UNIVERSITY OF GREENWICH (GB) 2012-09-18 US disclosed
US-20090291954-A1 Medical Use of Triazine Derivatives UNIVERSITY OF GREENWICH (GB) 2009-11-26 US disclosed
EP-2043656-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES University of Greenwich (GB) 2009-04-08 EP disclosed
WO-2008007149-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIVERSITY OF GREENWICH (GB) 2008-01-17 WO disclosed
CN-1030911-C Dibenzoylalkylcyanohydrazines ROHM & HAAS (US) 1996-02-07 CN 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 (2 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-20090291954-A1 Medical Use of Triazine Derivatives KCNH1, KCNJ1, KCNN1 CES2 518/4885CES1 1304/4885BCHE 4028/4885
US-20130005732-A1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES KCNJ1, KCNH1, KCNJ11 CES2 977/4885CES1 1494/4885BCHE 4117/4885

“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.