SCHEMBL3149015

SCHEMBL3149015

COc1ccc2ccc(Br)c(CC(=O)O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.41
MTNR1B P49286 15/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 2/20 0.39
HTR2C P28335 3/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL3158506 0.82 PTGS2 (0.54) MTNR1AMTNR1BPOLBTDP1PTGS2
SCHEMBL1712179 0.81 MTNR1A (0.39) MTNR1AMTNR1BPOLBTDP1PTGS2
SCHEMBL1712516 0.80 MTNR1A (0.37) MTNR1AMTNR1BPTGS2HTR2C
SCHEMBL1712254 0.80 MTNR1A (0.37) MTNR1AMTNR1BPTGS2HTR2C
SCHEMBL28792431 0.77 MTNR1A (0.38) MTNR1AMTNR1BPTGS2HTR2C
SCHEMBL15875469 0.76 MTNR1A (0.49) MTNR1AMTNR1BPOLBTDP1PTGS2
SCHEMBL3228913 0.75 MTNR1A (0.40) MTNR1AMTNR1BPOLBTDP1PTGS2
SCHEMBL3141865 0.75 CLK1 (0.45) MTNR1AMTNR1BPTGS2HTR2C
SCHEMBL3220236 0.74 POLB (0.38) MTNR1AMTNR1BPOLBTDP1PTGS2
SCHEMBL15548752 0.72 POLB (0.44) MTNR1AMTNR1BPOLBTDP1GAA

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-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
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 (2 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB MTNR1A 1695/4885MTNR1B 1409/4885POLB 312/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 MTNR1A 2151/4885MTNR1B 1480/4885POLB 665/4885

“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.