SCHEMBL5190751

SCHEMBL5190751

COc1cc(OC)nc(CCC(N)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.42
MTNR1A P48039 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NNMT P40261 4/20 0.38
SIRT6 Q8N6T7 1/20 0.36

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
SCHEMBL6712967 0.84 CYP1A2 (0.49) ALDH1A1CYP1A2POLBMTNR1AKDM4E
SCHEMBL5717600 0.84 KDM4E (0.47) ALDH1A1CYP1A2POLBKDM4ELMNA
SCHEMBL12479800 0.82 CYP1A2 (0.47) ALDH1A1CYP1A2HTTKDM4ELMNA
SCHEMBL9874099 0.81 KDM4E (0.47) ALDH1A1CYP1A2POLBKDM4E
SCHEMBL20520304 0.80 MTNR1A (0.41) ALDH1A1MTNR1AKDM4ENNMTSIRT6
SCHEMBL12479132 0.74 KDM4E (0.43) ALDH1A1CYP1A2HTTKDM4ESMN1; SMN2
SCHEMBL5092329 0.73 CYP1A2 (0.48) ALDH1A1CYP1A2POLBHTTKDM4E
SCHEMBL13069321 0.72 SMN1; SMN2 (0.42) ALDH1A1CYP1A2KDM4ELMNASMN1; SMN2
SCHEMBL7013448 0.72 ALDH1A1 (0.50) ALDH1A1CYP1A2KDM4ELMNASMN1; SMN2
SCHEMBL1720666 0.72 CYP1A2 (0.52) ALDH1A1CYP1A2POLBHTTKDM4E

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 ALDH1A1 2549/4885CYP1A2 375/4885POLB 2625/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885CYP1A2 375/4885POLB 2625/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 ALDH1A1 2482/4885CYP1A2 362/4885POLB 2847/4885

“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.