SCHEMBL5203420

SCHEMBL5203420

NC(=O)C[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
MAPT P10636 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 1/20 0.65
MPO P05164 1/20 0.65
TSHR P16473 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
HIF1A Q16665 1/20 0.65
HTR2A P28223 2/20 0.64
ADRB1 P08588 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2C P28335 1/20 0.59
HTR1E P28566 1/20 0.59
SLC6A4 P31645 1/20 0.59

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
SCHEMBL22357157 0.88 KDM4E (0.69) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL1833783 0.88 KDM4E (0.69) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29367542 0.88 KDM4E (0.69) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL8244909 0.88 KDM4E (0.69) KDM4EMAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL27360830 0.87 KDM4E (0.68) KDM4EMAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6587256 0.87 KDM4E (0.68) KDM4EMAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6589062 0.87 KDM4E (0.68) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL8742447 0.85 SMN1; SMN2 (0.62) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL24704552 0.83 HTR2A (0.62) KDM4EMAPTMEN1KMT2ALMNA
Dl-Tryptophan SCHEMBL9407071 0.83 KMT2A (0.84) KDM4EMAPTMEN1KMT2ALMNA

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 6 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
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 (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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885MAPT 3557/4885MEN1 2872/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885MAPT 3557/4885MEN1 2872/4885

“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.