SCHEMBL3214016

SCHEMBL3214016

O=Cc1ccc(F)c2c1OCCO2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.42
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNJ1 P48048 1/20 0.32
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL6851157 0.87 TDP1 (0.46) ERN1TDP1MEN1LMNATHRB
SCHEMBL28632221 0.76 LMNA (0.36) ERN1TDP1MEN1LMNATHRB
SCHEMBL28501401 0.76 TRIM24 (0.43) ERN1TDP1MEN1LMNATHRB
SCHEMBL30705299 0.76 TRIM24 (0.43) ERN1TDP1MEN1LMNATHRB
SCHEMBL3216500 0.74 KDM4E (0.40) ERN1TDP1MEN1LMNATHRB
SCHEMBL6852501 0.73 TDP1 (0.46) ERN1TDP1MEN1LMNATHRB
SCHEMBL13306790 0.72 ALDH1A1 (0.35) ERN1LMNAALDH1A1TSHRKDM4E
SCHEMBL6607327 0.72 ALDH1A1 (0.54) ERN1TDP1LMNAALDH1A1TSHR
SCHEMBL1012582 0.71 KDM4E (0.61) ERN1TDP1MEN1LMNATHRB
SCHEMBL28581319 0.71 KDM4E (0.40) ERN1MEN1KMT2AKDM4E

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
CN-101678015-A Pyrrolo (3, 2, 1-ij) quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LTD 2010-03-24 CN 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

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 ERN1 2814/4885TDP1 2423/4885MEN1 1853/4885

“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.