SCHEMBL5189809

SCHEMBL5189809

COc1nc2ccccc2nc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IKBKB O14920 1/20 0.42
LCK P06239 1/20 0.41
MAP2K3 P46734 1/20 0.41
MAP2K6 P52564 1/20 0.41
BTK Q06187 1/20 0.41
MAP3K19 Q56UN5 1/20 0.41
NEK10 Q6ZWH5 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
NQO2 P16083 2/20 0.40

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
SCHEMBL31137919 0.85 ALDH1A1 (0.67) HDAC6L3MBTL1KDM4EMAPTALDH1A1
SCHEMBL5717618 0.85 ALDH1A1 (0.67) HDAC6L3MBTL1KDM4EMAPTALDH1A1
SCHEMBL3574115 0.80 IKBKB (0.34) HDAC6L3MBTL1KDM4EMAPTALDH1A1
SCHEMBL9703955 0.79 HRH4 (0.43) KDM4EALDH1A1SMN1; SMN2IKBKBHRH4
SCHEMBL28827907 0.79 ALDH1A1 (0.48) KDM4EMAPTALDH1A1SMN1; SMN2HRH4
SCHEMBL16371793 0.78 SCN10A (0.59)
SCHEMBL2023364 0.77 L3MBTL1 (0.49) HDAC6L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7474377 0.76 NQO2 (0.56) HDAC6L3MBTL1KDM4EMAPTALDH1A1
SCHEMBL15958629 0.76 MAPT (0.54) MAPT
SCHEMBL4432713 0.75 IKBKB (0.61) HDAC6L3MBTL1KDM4EMAPTALDH1A1

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 HDAC6 140/4885L3MBTL1 456/4885KDM4E 1204/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 HDAC6 140/4885L3MBTL1 456/4885KDM4E 1204/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 HDAC6 143/4885L3MBTL1 607/4885KDM4E 1358/4885

“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.