SCHEMBL2482824

SCHEMBL2482824

Nc1cc(C(F)(F)F)c(Br)c(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.44
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CFTR P13569 5/20 0.34
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
AR P10275 1/20 0.32
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL2478082 0.80 BACE1 (0.44) BACE1KDM4EALDH1A1KMT2AENPP3
SCHEMBL30302012 0.78 ENPP3 (0.33) BACE1KDM4EENPP3ENPP1CA2
SCHEMBL18369638 0.78 BACE1 (0.47) BACE1KDM4EALDH1A1KMT2ACFTR
SCHEMBL28202919 0.74 BACE1 (0.40) BACE1KDM4EALDH1A1KMT2ACFTR
SCHEMBL21963087 0.73 ENPP3 (0.35) ALDH1A1KMT2AENPP3ENPP1
SCHEMBL31322072 0.72 CFTR (0.35) KDM4EALDH1A1KMT2ACFTRPOLB
SCHEMBL2480394 0.72 HTT (0.46) BACE1KDM4EALDH1A1KMT2AGLA
SCHEMBL2477843 0.69 BACE1 (0.46) BACE1KDM4EALDH1A1KMT2AGLA
SCHEMBL22062895 0.69 BACE1 (0.42) BACE1KDM4EALDH1A1KMT2ACFTR
SCHEMBL3115697 0.69 GAA (0.50) BACE1KDM4EALDH1A1KMT2ACFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2030971-B1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA (JP) 2011-10-12 EP disclosed
US-20100160326-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-06-24 US disclosed
EP-2030971-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-03-04 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-20100160326-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF HCN1, HCN3, HCN2 BACE1 4339/4885KDM4E 998/4885ALDH1A1 3569/4885

“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.