SCHEMBL2479769

SCHEMBL2479769

Nc1cc(C(F)(F)F)cc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.47
NOS2 P35228 2/20 0.47
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
CA2 P00918 1/20 0.43
CHKA P35790 1/20 0.43
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 2/20 0.41
HSD17B10 Q99714 2/20 0.39
CES2 O00748 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
SCN4A P35499 1/20 0.35
GRM4 Q14833 1/20 0.35
MET P08581 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
SCHEMBL272886 0.85 NOS3 (0.54) NOS3NOS2CA2CHKAKDM4E
SCHEMBL23344931 0.85 NOS3 (0.42) NOS3NOS2HSP90AA1HSP90AB1CA2
SCHEMBL24027321 0.85 HSP90AA1 (0.46) NOS3NOS2HSP90AA1HSP90AB1CA2
SCHEMBL3291350 0.83 CES2 (0.44) NOS3NOS2HSP90AA1HSP90AB1CA2
SCHEMBL9629201 0.79 NOS3 (0.42) NOS3NOS2KDM4EALDH1A1KMT2A
SCHEMBL23608618 0.79 HSP90AA1 (0.47) NOS3NOS2HSP90AA1HSP90AB1CA2
SCHEMBL17923118 0.77 NOS3 (0.47) NOS3NOS2CA2CHKAKDM4E
SCHEMBL24597143 0.76 NOS3 (0.45) NOS3NOS2CA2CHKAKDM4E
SCHEMBL18299964 0.76 HSP90AA1 (0.53) NOS3NOS2HSP90AA1HSP90AB1CA2
SCHEMBL29544677 0.76 NOS3 (0.45) NOS3NOS2CA2CHKAKDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228846-B1 AMINO-TRIFLUOROMETHYLPYRIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-04-22 EP claimed
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US claimed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP claimed
WO-2024126619-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (II), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2024-06-20 WO disclosed
WO-2024061807-A1 ORGANIC ELECTRONIC DEVICE COMPRISING A CHARGE GENERATION LAYER NOVALED GMBH (DE) 2024-03-28 WO disclosed
WO-2024033322-A1 METAL COMPLEX, SEMICONDUCTOR LAYER COMPRISING A METAL COMPLEX AND ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2024-02-15 WO disclosed
WO-2023110888-A1 A CE(IV) METAL COMPLEX, AN ORGANIC ELECTRONIC DEVICE COMPRISING AN ANODE LAYER, A CATHODE LAYER AND A CHARGE GENERATION LAYER, WHEREIN THE CHARGE GENERATION LAYER COMPRISES A P-TYPE CHARGE GENERATION LAYER THAT COMPRISES THE CE(IV) METAL COMPLEX AND A N-TYPE CHARGE GENERATION LAYER NOVALED GMBH (DE) 2023-06-22 WO disclosed
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
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 CN disclosed
CN-1153512-A Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides ZENECA LTD (GB) 1997-07-02 CN disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1996037466-A1 PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES ZENECA LIMITED (GB) 1996-11-28 WO disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed
EP-0228846-B1 AMINO-TRIFLUOROMETHYLPYRIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-04-22 EP disclosed
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US disclosed
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US disclosed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP disclosed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 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 NOS3 268/4885NOS2 545/4885HSP90AA1 899/4885

“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.