SCHEMBL5717693

SCHEMBL5717693

N#C/C(=C\c1ccc2c(c1)OCO2)C(N)=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
HPGD P15428 5/20 0.64
KDM4E B2RXH2 4/20 0.64
MAPT P10636 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
KMT2A Q03164 3/20 0.62
HTT P42858 2/20 0.62
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
PKM P14618 1/20 0.59
CYP1A2 P05177 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 1/20 0.58
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
TP53 P04637 1/20 0.58
LCK P06239 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
SCHEMBL5717695 1.00 CRHBP (0.65) CRHBPCRHR2HPGDKDM4EMAPT
SCHEMBL5040968 0.87 CRHBP (0.67) CRHBPCRHR2HPGDKDM4EMAPT
SCHEMBL5040966 0.87 CRHBP (0.67) CRHBPCRHR2HPGDKDM4EMAPT
SCHEMBL10358118 0.82 CRHBP (0.76) CRHBPCRHR2HPGDKDM4EMAPT
SCHEMBL10358119 0.82 CRHBP (0.76) CRHBPCRHR2HPGDKDM4EMAPT
SCHEMBL12732154 0.81 EGFR (0.62) CRHBPCRHR2HPGDKDM4EMAPT
SCHEMBL8366345 0.79 CRHBP (1.00) CRHBPCRHR2HPGDKDM4EMAPT
SCHEMBL17465786 0.79 CRHBP (1.00) CRHBPCRHR2HPGDKDM4EMAPT
SCHEMBL3369590 0.79 CRHBP (0.56) CRHBPCRHR2HPGDKDM4EMAPT
SCHEMBL11557635 0.77 ALDH1A1 (0.56) CRHBPCRHR2HPGDKDM4EMAPT

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 CRHBP 4113/4885CRHR2 1574/4885HPGD 2504/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CRHBP 4113/4885CRHR2 1574/4885HPGD 2504/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CRHBP 3930/4885CRHR2 1485/4885HPGD 2843/4885

“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.