SCHEMBL2175219

SCHEMBL2175219

Cc1ccc(COc2cc(OCc3ccccc3)ccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.60
MAOB P27338 9/20 0.53
MAOA P21397 3/20 0.48
ALOX5 P09917 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GRM5 P41594 1/20 0.44
DYRK1A Q13627 1/20 0.43
TSPO P30536 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL14745014 0.91 GABRA5 (0.61) GABRA5MAOBMAOAALOX5CYP3A4
SCHEMBL2176479 0.87 MAOB (0.58) GABRA5MAOBALOX5CYP3A4MAPK1
SCHEMBL501711 0.86 MAOB (0.60) GABRA5MAOBMAOAALOX5CYP3A4
SCHEMBL16782973 0.84 GABRA5 (0.56) GABRA5MAOBMAOAALOX5CYP3A4
SCHEMBL30825708 0.83 MAOB (0.60) GABRA5MAOB
SCHEMBL3887646 0.82 GABRA5 (0.50) GABRA5MAOBMAOAMAPK1NPC1
SCHEMBL16453461 0.80 MAOB (0.45) GABRA5MAOBMAOANPC1RAB9A
SCHEMBL1563949 0.79 MAOB (0.54) GABRA5MAOBMAOAALOX5CYP3A4
SCHEMBL8280584 0.77 GABRA5 (0.49) GABRA5ALOX5NPC1RAB9A
SCHEMBL128703 0.76 LMNA (0.67) MAOBMAOAALOX5RAB9ALMNA

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
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN claimed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN claimed
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
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN disclosed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN 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 GABRA5 2639/4885MAOB 1015/4885MAOA 1100/4885

“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.