SCHEMBL6748915

SCHEMBL6748915

[CH2]c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
MASP2 O00187 1/20 0.44
F2 P00734 1/20 0.44
EPAS1 Q99814 1/20 0.44
PTPN1 P18031 1/20 0.43
PTGES O14684 2/20 0.43

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
SCHEMBL13881915 0.89 LMNA (0.55) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1340465 0.84 POLB (0.56) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL13220963 0.82 MAPT (0.62) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5926606 0.81 SERPINE1 (0.56) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6748077 0.80 MAPT (0.62) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL8435213 0.80 SMN1; SMN2 (0.52) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10588184 0.80 MAPT (0.60) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL31090831 0.80 MAPT (0.60) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL11096630 0.80 LMNA (0.54) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL11169458 0.80 LMNA (0.52) MAPTLMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
EP-1173193-A4 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME UNIV PRINCETON (US) 2003-01-29 EP disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
EP-1173193-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME The Trustees of Princeton University (US) 2002-01-23 EP disclosed
WO-2000059528-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-10-12 WO disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 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 (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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 MAPT 4049/4885LMNA 1534/4885SMN1; SMN2 3997/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS MAPT 4344/4885LMNA 3902/4885SMN1; SMN2 4173/4885

“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.