SCHEMBL6746181

SCHEMBL6746181

[CH2]c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.65
MAPT P10636 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSPB1 P04792 1/20 0.51
MERTK Q12866 1/20 0.47
PTPN1 P18031 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL5863266 0.87 PDE7A (0.82) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29780387 0.87 PDE7A (0.82) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6748077 0.84 MAPT (0.62) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11600913 0.83 MEN1 (0.73) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7042460 0.82 PDE7A (0.83) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28589234 0.81 MAPT (0.75) PDE7AMAPTMEN1KMT2ALMNA
SCHEMBL11475236 0.80 PDE7A (0.76) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2961786 0.79 PDE7A (0.74) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL810516 0.79 PDE7A (0.74) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7041453 0.78 PDE7A (0.64) PDE7AMAPTMEN1KMT2ASMN1; SMN2

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-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
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US 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 PDE7A 1464/4885MAPT 4049/4885MEN1 1692/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS PDE7A 2909/4885MAPT 4344/4885MEN1 1737/4885

“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.