SCHEMBL14199894

SCHEMBL14199894

CNc1c(OCc2ccccc2)cncc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.49
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GLRA1 P23415 1/20 0.39
SGMS2 Q8NHU3 2/20 0.39
ALDH1A1 P00352 4/20 0.38
RXRA P19793 1/20 0.38
IDO1 P14902 1/20 0.38
LIPE Q05469 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
CCR5 P51681 1/20 0.38
GCK P35557 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
SCHEMBL14200021 0.81 MAPT (0.51) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL14199893 0.75 AOC3 (0.46) AOC3MAPTGLRA1SGMS2RXRA
SCHEMBL683595 0.72 L3MBTL1 (0.58) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL25146420 0.72 MAPK1 (0.53) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL29102388 0.71 APP (0.51) AOC3MAPTMAPK1TDP1L3MBTL1
SCHEMBL22448645 0.70 GLRA1 (0.48) AOC3MAPTMAPK1TDP1L3MBTL1
SCHEMBL22448625 0.70 MAPK1 (0.47) AOC3MAPTMAPK1TDP1L3MBTL1
SCHEMBL8800593 0.69 GLRA1 (0.50) MAPTMAPK1TDP1L3MBTL1GLRA1
SCHEMBL24434611 0.69 AOC3 (0.48) AOC3MAPTMAPK1TDP1L3MBTL1
SCHEMBL23510835 0.69 RXRA (0.44) AOC3MAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 AOC3 3407/4885MAPT 4669/4885MAPK1 1183/4885

“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.