SCHEMBL6356465

SCHEMBL6356465

C=CCOC(=O)c1c(F)c(C)c(F)c([N+](=O)[O-])c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ACHE P22303 1/20 0.31
MAPT P10636 4/20 0.31
RHOA P61586 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL28355427 0.75 CYP3A4 (0.52) CYP3A4KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL2833749 0.74 CYP3A4 (0.50) CYP3A4KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL10616152 0.72 CYP3A4 (0.48) CYP3A4KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL5108210 0.70 CYP3A4 (0.42) CYP3A4KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL28355430 0.70 CYP3A4 (0.46) CYP3A4KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL14359869 0.68 TDP1 (0.41) SMN1; SMN2ALDH1A1HSD17B10TSHRACHE
SCHEMBL7631407 0.68 CYP3A4 (0.59) CYP3A4KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL7062324 0.68 ESR1 (0.46) CYP3A4KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL8786627 0.68 TDP1 (0.56) CYP3A4HPGDSMN1; SMN2LMNAPOLB
SCHEMBL8758928 0.68 CYP3A4 (0.56) CYP3A4HPGDSMN1; SMN2LMNAPOLB

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
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 CYP3A4 1010/4885KDM4E 702/4885HPGD 1585/4885

“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.