SCHEMBL6318456

SCHEMBL6318456

CNCC(O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HIF1A Q16665 3/20 0.58
BLM P54132 3/20 0.58
THPO P40225 2/20 0.58
HTR1A P08908 1/20 0.58
NMUR2 Q9GZQ4 1/20 0.58
CYP2C9 P11712 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
DHODH Q02127 1/20 0.53
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 4/20 0.49
TSHR P16473 4/20 0.49
CYP3A4 P08684 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 3/20 0.49

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
Epinephrine SCHEMBL8073609 0.83 TDP1 (0.67) TDP1KDM4EALDH1A1SMN1; SMN2HIF1A
SCHEMBL6317925 0.81 SLC6A3 (0.60) TDP1KDM4EALDH1A1SMN1; SMN2HIF1A
SCHEMBL6535359 0.81 DHODH (0.54) TDP1KDM4EALDH1A1SMN1; SMN2HIF1A
SCHEMBL7153255 0.81 DHODH (0.54) TDP1KDM4EALDH1A1SMN1; SMN2HIF1A
SCHEMBL6324850 0.81 DHODH (0.54) TDP1KDM4EALDH1A1SMN1; SMN2HIF1A
SCHEMBL9193955 0.79 DHODH (0.53) TDP1KDM4EALDH1A1SMN1; SMN2HIF1A
Phenylephrine SCHEMBL15918950 0.79 HIF1A (0.70) TDP1KDM4EALDH1A1SMN1; SMN2HIF1A
SCHEMBL6316512 0.78 DHODH (0.51) TDP1KDM4EALDH1A1SMN1; SMN2HIF1A
SCHEMBL11112670 0.77 SMN1; SMN2 (0.61) TDP1KDM4EALDH1A1SMN1; SMN2TAAR1
Oxedrine SCHEMBL28002395 0.77 HIF1A (0.82) TDP1KDM4EALDH1A1SMN1; SMN2HIF1A

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
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US disclosed
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
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US 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 (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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 TDP1 704/4885KDM4E 1156/4885ALDH1A1 1593/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 TDP1 396/4885KDM4E 1593/4885ALDH1A1 1981/4885

“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.