SCHEMBL3154307

SCHEMBL3154307

COC(=O)[C@@H](CN1CCC2(CC1)OCCO2)c1c(F)ccc2ccc(OC)nc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KCNH2 Q12809 3/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC2A1 P11166 1/20 0.34
RAB9A P51151 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL3154310 1.00 POLB (0.37) POLBKDM4EMAPTHDAC6HSD17B10
SCHEMBL3154296 1.00 POLB (0.37) POLBKDM4EMAPTHDAC6HSD17B10
SCHEMBL3150340 0.85 MAPT (0.39) POLBKDM4EMAPTHDAC6HSD17B10
SCHEMBL3150331 0.85 MAPT (0.39) POLBKDM4EMAPTHDAC6HSD17B10
SCHEMBL3220110 0.79 TBK1 (0.40) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3149998 0.77 KCNH2 (0.36) KCNH2SLC2A1
SCHEMBL3148938 0.76 SLC2A1 (0.41) KCNH2SLC2A1
SCHEMBL3201913 0.76 KCNH2 (0.52) KCNH2
SCHEMBL1711856 0.75 MTNR1A (0.41) POLB
SCHEMBL1837569 0.74 KMT2A (0.37) POLBKDM4EMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 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-20080221110-A1 Compounds NRDC, NISCH, MRPL21 POLB 470/4885KDM4E 4293/4885MAPT 1138/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB POLB 312/4885KDM4E 2257/4885MAPT 2220/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 POLB 665/4885KDM4E 3723/4885MAPT 1059/4885

“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.