SCHEMBL5746155

SCHEMBL5746155

COc1ccc(COc2cnc(COC(C)=O)cc2C#CCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
FFAR1 O14842 2/20 0.36
SYK P43405 1/20 0.36
BRD4 O60885 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
PREP P48147 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL13349164 0.79 MTNR1A (0.42) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL2767456 0.79 ALDH1A1 (0.48) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL2482290 0.77 CSF1R (0.39) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL3271862 0.76 MTNR1A (0.39) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL103718 0.73 KEAP1 (0.39) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL3587465 0.72 FFAR1 (0.51) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL11631724 0.70 SAE1 (0.46) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL9366721 0.69 NPC1 (0.47) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL1871228 0.69 ALDH1A1 (0.62) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL112518 0.69 ALDH1A1 (0.62) NPC1RAB9APOLBSMN1; SMN2FFAR1

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-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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 (1 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG MTNR1A 1750/4885MTNR1B 1729/4885NPC1 660/4885

“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.