SCHEMBL3213697

SCHEMBL3213697

COC(=O)C(C(=O)OC)c1c(F)ccc2ccc(OC)nc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.40
MTNR1B P49286 16/20 0.40
PTGS2 P35354 2/20 0.40
HTR2C P28335 4/20 0.38
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NNMT P40261 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
SCHEMBL3400408 0.87 POLB (0.40) MTNR1AMTNR1BPTGS2HTR2CPOLB
SCHEMBL1711841 0.86 MTNR1A (0.41) MTNR1AMTNR1BPTGS2HTR2CPOLB
SCHEMBL1711924 0.86 PTGS2 (0.39) MTNR1AMTNR1BPTGS2HTR2CPOLB
SCHEMBL1711856 0.83 MTNR1A (0.41) MTNR1AMTNR1BPTGS2HTR2CPOLB
SCHEMBL3544996 0.81 KCNH2 (0.42)
SCHEMBL3229950 0.80 PTGS2 (0.40) MTNR1AMTNR1BPTGS2HTR2CPOLB
SCHEMBL1712087 0.80 PTGS2 (0.38) MTNR1AMTNR1BPTGS2HTR2CPOLB
SCHEMBL3406716 0.79 PTGS2 (0.37) MTNR1AMTNR1BPTGS2HTR2CNNMT
SCHEMBL1711951 0.78 PTGS2 (0.37) MTNR1AMTNR1BPTGS2
SCHEMBL1723421 0.77 MAPT (0.37) MTNR1AMTNR1BPTGS2POLB

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 14 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-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
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 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
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US 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
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US 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 MTNR1A 3542/4885MTNR1B 3214/4885PTGS2 1492/4885
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 MTNR1A 3390/4885MTNR1B 3097/4885PTGS2 2818/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB MTNR1A 1695/4885MTNR1B 1409/4885PTGS2 213/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 MTNR1A 2151/4885MTNR1B 1480/4885PTGS2 2337/4885

“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.