SCHEMBL5202849

SCHEMBL5202849

Cn1ncc(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.36
RIPK2 O43353 1/20 0.36
GLA P06280 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL939974 0.84 POLB (0.44) KDM4EKMT2AMEN1CYP3A4GAA
SCHEMBL17469085 0.84 PKM (0.39) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL28783815 0.82 LMNA (0.39) MAPTKDM4EKMT2AMEN1CYP3A4
SCHEMBL3060859 0.82 MEN1 (0.39) MAPTKDM4ESMN1; SMN2KMT2AMEN1
Benzamide SCHEMBL27827170 0.81 TSHR (0.43) MAPTKDM4ESMN1; SMN2CYP3A4BLM
SCHEMBL354031 0.79 GAA (0.43) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL11545754 0.78 TSHR (0.35) MAPTKDM4ESMN1; SMN2KMT2ACYP3A4
SCHEMBL11545682 0.77 TSHR (0.36) MAPTKDM4ESMN1; SMN2CYP3A4BLM
SCHEMBL11547934 0.76 LMNA (0.34) MAPTKDM4ESMN1; SMN2KMT2ACYP3A4
SCHEMBL8384735 0.76 PKM (0.39) MAPTKDM4EKMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 MAPT 3557/4885KDM4E 1204/4885SMN1; SMN2 3554/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 MAPT 3557/4885KDM4E 1204/4885SMN1; SMN2 3554/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 MAPT 3349/4885KDM4E 1358/4885SMN1; SMN2 3041/4885

“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.