SCHEMBL3148938

SCHEMBL3148938

COC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1c(F)ccc2ccc(OC)nc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.41
KCNH2 Q12809 5/20 0.41
KCNA3 P22001 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4D Q6B0I6 1/20 0.37
PARP1 P09874 3/20 0.37
AAK1 Q2M2I8 2/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL3144945 0.90 KCNA3 (0.40) SLC2A1KCNH2KCNA3MTNR1AMTNR1B
SCHEMBL2935789 0.89 KCNH2 (0.43) SLC2A1KCNH2KCNA3AAK1CKS1B
SCHEMBL3546417 0.89 KCNH2 (0.50) SLC2A1KCNH2CKS1BSKP1SKP2
SCHEMBL1267791 0.88 SLC2A1 (0.40) SLC2A1KCNH2KCNA3MTNR1AMTNR1B
SCHEMBL3209072 0.87 MTNR1A (0.44) SLC2A1KCNA3MTNR1AMTNR1BKDM4D
SCHEMBL3154917 0.85 ACACB (0.38) KCNH2CKS1BSKP1SKP2
SCHEMBL3149200 0.85 ACACB (0.38) KCNH2CKS1BSKP1SKP2
SCHEMBL3220110 0.84 TBK1 (0.40)
SCHEMBL3551289 0.83 SLC2A1 (0.51) SLC2A1KCNH2KCNA3KDM4D
SCHEMBL14386554 0.83 KCNH2 (0.42) SLC2A1KCNH2CKS1BSKP1SKP2

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 13 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-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
EP-2176262-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-04-21 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-2008128962-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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 (4 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 SLC2A1 3396/4885KCNH2 3013/4885KCNA3 3686/4885
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 SLC2A1 4498/4885KCNH2 2974/4885KCNA3 3326/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB SLC2A1 4630/4885KCNH2 784/4885KCNA3 2047/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 SLC2A1 4172/4885KCNH2 3105/4885KCNA3 3596/4885

“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.