SCHEMBL3144945

SCHEMBL3144945

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.40
KCNH2 Q12809 3/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
KDM4D Q6B0I6 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
SLC2A1 P11166 1/20 0.37
CCR5 P51681 1/20 0.36
DRD2 P14416 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
MAP4K4 O95819 2/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL3148938 0.90 SLC2A1 (0.41) KCNA3KCNH2MTNR1AMTNR1BKDM4D
SCHEMBL3209072 0.87 MTNR1A (0.44) KCNA3MTNR1AMTNR1BKDM4DCKS1B
SCHEMBL3551289 0.83 SLC2A1 (0.51) KCNA3KCNH2KDM4DSLC2A1MAP4K4
SCHEMBL5744791 0.83 KCNH2 (0.42) KCNH2SUV39H2CKS1BSKP1SKP2
SCHEMBL14386554 0.83 KCNH2 (0.42) KCNH2SUV39H2CKS1BSKP1SKP2
SCHEMBL3546417 0.83 KCNH2 (0.50) KCNH2CKS1BSKP1SKP2SLC2A1
SCHEMBL4428657 0.80 MTNR1A (0.44) KCNA3MTNR1AMTNR1BKDM4DCKS1B
SCHEMBL1267791 0.80 SLC2A1 (0.40) KCNA3KCNH2MTNR1AMTNR1BKDM4D
SCHEMBL2935789 0.79 KCNH2 (0.43) KCNA3KCNH2CKS1BSKP1SKP2
SCHEMBL4477066 0.78 SLC2A1 (0.46) KCNA3KCNH2MTNR1AMTNR1BKDM4D

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 9 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
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
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US 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 KCNA3 3686/4885KCNH2 3013/4885MTNR1A 3542/4885
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 KCNA3 3326/4885KCNH2 2974/4885MTNR1A 3390/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB KCNA3 2047/4885KCNH2 784/4885MTNR1A 1695/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 KCNA3 3596/4885KCNH2 3105/4885MTNR1A 2151/4885

“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.