SCHEMBL335579

SCHEMBL335579

COCCc1ncc(C=O)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FDPS P14324 1/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 2/20 0.34
LMNA P02545 1/20 0.33
FGFR4 P22455 1/20 0.33
ALDH3A1 P30838 1/20 0.33
ALDH1A3 P47895 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PLAU P00749 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1432782 0.81 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTHPGDKMT2A
SCHEMBL336024 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTHPGDCYP1A2
SCHEMBL20892549 0.80 PLAU (0.44) ALDH1A1L3MBTL1MAPTCYP2C9MEN1
SCHEMBL335600 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTHPGDCYP1A2
SCHEMBL21598727 0.77 PLAU (0.36) ALDH1A1MAPTHPGDHCAR2PLAU
SCHEMBL21598696 0.77 PLAU (0.40) ALDH1A1HPGDCYP1A2CYP2D6MEN1
SCHEMBL1433331 0.77 ALDH1A1 (0.30) ALDH1A1L3MBTL1CYP1A2
SCHEMBL1433087 0.74 ALDH1A1 (0.35) ALDH1A1L3MBTL1MEN1KMT2AALDH3A1
SCHEMBL14944013 0.74 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL13428483 0.74 CCNB2 (0.41) ALDH1A1L3MBTL1HPGDCYP1A2CYP2C19

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB ALDH1A1 612/4885L3MBTL1 4667/4885FDPS 72/4885

“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.