SCHEMBL5717554

SCHEMBL5717554

NC(=O)C(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.75
MAPT P10636 4/20 0.64
KDM4E B2RXH2 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 1/20 0.64
MPO P05164 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
HIF1A Q16665 1/20 0.64
POLB P06746 2/20 0.60
APAF1 O14727 1/20 0.60
RECQL P46063 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HTR2A P28223 2/20 0.58
SLC6A2 P23975 2/20 0.58
ADRB1 P08588 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58

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
SCHEMBL578606 0.86 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL30912052 0.86 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL891879 0.86 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL1362995 0.86 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL29361050 0.86 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL29556806 0.86 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL8742447 0.85 SMN1; SMN2 (0.62) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL8403647 0.84 KDM4E (0.78) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL29865910 0.84 KDM4E (0.78) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL617181 0.84 KDM4E (0.78) SMN1; SMN2MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SMN1; SMN2 3554/4885MAPT 3557/4885KDM4E 1204/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 SMN1; SMN2 3554/4885MAPT 3557/4885KDM4E 1204/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 SMN1; SMN2 3041/4885MAPT 3349/4885KDM4E 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.