SCHEMBL6320542

SCHEMBL6320542

CNCC(O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.59
ADRA2B P18089 7/20 0.59
ADRA2C P18825 7/20 0.59
ADRB1 P08588 5/20 0.59
ADRB3 P13945 5/20 0.59
ADRA1A P35348 4/20 0.53
ADRB2 P07550 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HIF1A Q16665 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
BLM P54132 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.50
DRD1 P21728 2/20 0.50
ADRA1B P35368 2/20 0.50
DRD3 P35462 2/20 0.50
HTR1A P08908 2/20 0.50

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
SCHEMBL26672809 0.85 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL23484536 0.78 KDM4E (0.67) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL28196899 0.74 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL28196898 0.74 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL2294173 0.73 KDM4E (0.68) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL2299016 0.73 KDM4E (0.68) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL3443558 0.73 KDM4E (0.68) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL5492653 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL2458054 0.72 ADRB2 (0.50) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL7153230 0.72 ADRB2 (0.50) ADRA2AADRA2BADRA2CADRB1ADRB3

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-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US claimed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP claimed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO claimed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 ADRA2A 3916/4885ADRA2B 4154/4885ADRA2C 3124/4885

“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.