SCHEMBL5745495

SCHEMBL5745495

COCOc1cccc2cc(CO)[nH]c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAPT P10636 2/20 0.35
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.34
GRK6 P43250 1/20 0.34
MMP13 P45452 4/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL3021978 0.80 CYP2A6 (0.39) DHODHMAPTPTPN1NPC1SMN1; SMN2
SCHEMBL4273908 0.78 RAB9A (0.49) DHODHMAPTNPC1SMN1; SMN2GRK6
SCHEMBL5258175 0.75 SLC2A1 (0.40) DHODHMTNR1AMTNR1BMMP13RET
SCHEMBL6079916 0.74 JAK2 (0.49) DHODHMAPTPTPN1GRK6CHEK1
SCHEMBL5745026 0.73 PTPN1 (0.35) DHODHMAPTPTPN1NPC1SMN1; SMN2
SCHEMBL4279145 0.73 MEN1 (0.46) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL11926107 0.72 PTPN1 (0.41) MAPTPTPN1NPC1SMN1; SMN2EGFR
SCHEMBL19921264 0.69 MTNR1A (0.60) MTNR1AMTNR1BMAPTSMN1; SMN2KDM4E
SCHEMBL6080017 0.68 LMNA (0.45) MAPTPTPN1NPC1SMN1; SMN2EGFR
SCHEMBL8974681 0.67 KDM4E (0.39) MAPTPTPN1GRK6CHEK1AURKA

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 DHODH 629/4885MTNR1A 1750/4885MTNR1B 1729/4885

“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.