SCHEMBL5546129

SCHEMBL5546129

CC1Oc2ccccc2C1O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
GUSB P08236 4/20 0.37
CYP3A4 P08684 1/20 0.37
ABCB1 P08183 2/20 0.37
POLB P06746 1/20 0.36
NR3C1 P04150 1/20 0.35
ATM Q13315 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL8927457 0.88 MAOB (0.42) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL8927777 0.88 MAOB (0.42) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL11403457 0.84 MAOB (0.39) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL28302100 0.78 MAOA (0.45) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL27833117 0.77 MAOA (0.48) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL171162 0.77 ABCB1 (0.46) MAOBMAOAGUSBABCB1POLB
SCHEMBL13535591 0.76 MAOB (0.39) MAOBMAOAGUSBABCB1POLB
SCHEMBL13287870 0.75 MAOB (0.38) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL28241766 0.74 ABCB1 (0.37) MAOBMAOAGUSBABCB1POLB
SCHEMBL7557450 0.74 MAOA (0.45) MAOBMAOALTB4RLTB4R2GUSB

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
CN-105026392-B 4,5-dihydro-pyrazolo [3, 4-c] pyrid-2-ones, preparation method and application thereof 四川海思科制药有限公司 2017-05-10 CN disclosed
CN-105026392-A 4,5-dihydro-pyrazolo [3, 4-c] pyrid-2-ones, preparation method and application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-11-04 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MAOB 2140/4885MAOA 2885/4885LTB4R 1850/4885

“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.