SCHEMBL6778036

SCHEMBL6778036

O=C(O)C1C=Nc2ccncc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
SLC22A12 Q96S37 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CDC25B P30305 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31
FGFR1 P11362 1/20 0.31
SRC P12931 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
SCHEMBL6783904 0.71 CDC25B (0.34) CDC25B
SCHEMBL29440764 0.67 KDM4E (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5778651 0.67 NPSR1 (0.42) NPSR1MAOAMAOBCDC25BALDH1A1
SCHEMBL11816560 0.67 NPSR1 (0.38) NPSR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11555181 0.66 CES1 (0.31)
SCHEMBL28881613 0.64 MAOA (0.42) NPSR1SLC22A12MAOAMAOBCDC25B
SCHEMBL7081619 0.64 CES2 (0.31)
SCHEMBL1450636 0.63 GABRP (0.34) ALDH1A1KDM4EMEN1MAPTTHRB
SCHEMBL28628608 0.61 LMNA (0.30)
SCHEMBL17320675 0.61 LMNA (0.46) NPSR1MAOAMAOBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP claimed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 US claimed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP disclosed
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 EP disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 US disclosed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 EP disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 US disclosed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (US) 2002-12-27 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-20030181719-A1 Novel heterocyclic antibacterial compounds TOP1, TOP2A, TOP2B NPSR1 4813/4885SLC22A12 2772/4885MAOA 912/4885

“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.