SCHEMBL5204686

SCHEMBL5204686

Cn1c(CCC(N)=O)nc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.76
TSHR P16473 2/20 0.60
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
PDE10A Q9Y233 2/20 0.54
CYP2D6 P10635 1/20 0.54
LMNA P02545 1/20 0.50

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
SCHEMBL855333 0.86 HDAC6 (1.00) HDAC6TSHRMAPTALDH1A1RECQL
Hydrochloric Acid SCHEMBL3515336 0.85 HDAC6 (0.97) HDAC6TSHRMAPTALDH1A1RECQL
SCHEMBL13649430 0.84 HDAC6 (0.61) HDAC6TSHRMAPTALDH1A1RECQL
SCHEMBL8571808 0.82 HDAC6 (0.72) HDAC6TSHRMAPTALDH1A1RECQL
SCHEMBL8234216 0.82 HDAC6 (0.72) HDAC6TSHRMAPTALDH1A1RECQL
SCHEMBL29376463 0.81 HDAC6 (0.83) HDAC6TSHRMAPTALDH1A1RECQL
SCHEMBL16776720 0.81 HDAC6 (0.83) HDAC6TSHRMAPTALDH1A1RECQL
SCHEMBL9569938 0.79 HDAC6 (0.67) HDAC6TSHRMAPTALDH1A1RECQL
SCHEMBL4728786 0.79 HDAC6 (0.67) HDAC6TSHRMAPTALDH1A1RECQL
SCHEMBL855166 0.79 MAPT (0.77) HDAC6TSHRMAPTALDH1A1RECQL

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 140/4885TSHR 723/4885MAPT 3557/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 HDAC6 140/4885TSHR 723/4885MAPT 3557/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 HDAC6 143/4885TSHR 1579/4885MAPT 3349/4885

“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.