SCHEMBL5452045

SCHEMBL5452045

O=C(F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.60
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
KCNMA1 Q12791 1/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 4/20 0.49
AKR1B1 P15121 2/20 0.49
AKR1C4 P17516 2/20 0.49
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 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
SCHEMBL442397 0.87 HPD (0.60) HPDFLT1FLT4KDRKCNMA1
Hydrochloric Acid SCHEMBL11776053 0.85 HPD (0.59) HPDFLT1FLT4KDRKCNMA1
Ammonia Solution, Strong SCHEMBL28953061 0.85 HPD (0.59) HPDFLT1FLT4KDRKCNMA1
SCHEMBL4658862 0.85 HPD (0.62) HPDFLT1FLT4KDRKCNMA1
SCHEMBL2323726 0.85 HPD (0.59) HPDFLT1FLT4KDRKCNMA1
SCHEMBL165527 0.85 HPD (0.59) HPDFLT1FLT4KDRKCNMA1
SCHEMBL29079008 0.84 HPD (0.58) HPDFLT1FLT4KDRKCNMA1
SCHEMBL4147867 0.83 FLT1 (0.62) HPDFLT1FLT4KDRKCNMA1
SCHEMBL30959714 0.81 CFTR (0.60) HPDFLT1FLT4KDRKCNMA1
SCHEMBL22065390 0.81 HPD (0.65) HPDFLT1FLT4KDRKCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259822-A1 8A,11-BICYCLIC 8A-AZALIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-7276487-B2 9a, 11-3C-bicyclic 9a-azalide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-7129221-B2 6,11-bicyclic erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2006-10-31 US disclosed
US-20050090460-A1 9a,11-3C-bicyclic 9a-azalide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2005-04-28 US disclosed
WO-2005030227-A1 9a, 11-3C-BICYCLIC 9a-AZALIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2005-04-07 WO disclosed
US-20040053861-A1 6,11-Bicyclic erythromycin derivatives ENANTA PHARMACEUTICALS, INC. 2004-03-18 US 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 (3 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-20040053861-A1 6,11-Bicyclic erythromycin derivatives ABCB11, CYP2B6, CYP2D6 HPD 949/4885FLT1 2408/4885FLT4 3122/4885
US-20070259822-A1 8A,11-BICYCLIC 8A-AZALIDE DERIVATIVES CYP3A7, CYP2C8, CYP51A1 HPD 333/4885FLT1 3976/4885FLT4 4332/4885
US-20050090460-A1 9a,11-3C-bicyclic 9a-azalide derivatives CYP2C9, CYP2C19, UGT1A9 HPD 229/4885FLT1 4263/4885FLT4 4164/4885

“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.