SCHEMBL2176479

SCHEMBL2176479

COc1ccc(COc2cc(OCc3ccccc3)ccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
GABRA5 P31644 1/20 0.56
BCHE P06276 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ABCB1 P08183 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX5 P09917 1/20 0.49
LTA4H P09960 1/20 0.49
CYP3A4 P08684 1/20 0.48
APP P05067 4/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NOD2 Q9HC29 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30825708 0.91 MAOB (0.60) MAOBGABRA5BCHEABCB1APP
SCHEMBL14745014 0.89 GABRA5 (0.61) MAOBGABRA5BCHENPC1RAB9A
SCHEMBL501711 0.88 MAOB (0.60) MAOBGABRA5BCHEMEN1KMT2A
SCHEMBL2175219 0.87 GABRA5 (0.60) MAOBGABRA5NPC1RAB9AALOX5
SCHEMBL16782973 0.83 GABRA5 (0.56) MAOBGABRA5BCHEALOX5CYP3A4
SCHEMBL116626 0.80 NPC1 (0.54) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL29417533 0.80 NPC1 (0.54) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL8279828 0.80 PDE2A (0.52) MAOBNPC1RAB9AAPPPOLB
SCHEMBL29360199 0.80 NPC1 (0.56) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL2467168 0.80 NPC1 (0.56) MAOBMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT MAOB 1015/4885GABRA5 2639/4885BCHE 1917/4885

“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.