SCHEMBL3214175

SCHEMBL3214175

COc1ccc2ccc(F)c(C(C)C(O)O)c2n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
MTNR1A P48039 13/20 0.34
MTNR1B P49286 13/20 0.34
HTR2C P28335 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL14995338 0.81 PTGS2 (0.36) PTGS2MTNR1AMTNR1BHTR2C
SCHEMBL3229950 0.79 PTGS2 (0.40) PTGS2MTNR1AMTNR1BHTR2CPOLB
SCHEMBL3214187 0.79 PTGS2 (0.37) PTGS2MTNR1AMTNR1BHTR2C
SCHEMBL3400408 0.78 POLB (0.40) PTGS2MTNR1AMTNR1BHTR2CPOLB
SCHEMBL3213697 0.77 MTNR1A (0.40) PTGS2MTNR1AMTNR1BHTR2CPOLB
SCHEMBL1711841 0.74 MTNR1A (0.41) PTGS2MTNR1AMTNR1BHTR2CPOLB
SCHEMBL1711924 0.74 PTGS2 (0.39) PTGS2MTNR1AMTNR1BHTR2CPOLB
SCHEMBL1837381 0.74 MTNR1A (0.36) PTGS2MTNR1AMTNR1BHTR2C
SCHEMBL3406526 0.74 ERN1 (0.41) PTGS2MTNR1AMTNR1BHTR2CPOLB
SCHEMBL1711854 0.73 MTNR1A (0.35) PTGS2MTNR1AMTNR1BHTR2C

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 5 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-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PTGS2 213/4885MTNR1A 1695/4885MTNR1B 1409/4885

“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.