SCHEMBL5546370

SCHEMBL5546370

COc1ccc2c(C)scc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
AXL P30530 1/20 0.42
BACE1 P56817 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 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
SCHEMBL5543342 0.85 CYP1A2 (0.45) CYP1A2CYP2A6HSD17B1HSD17B2MAPT
SCHEMBL5546364 0.81 CYP1A2 (0.45) CYP1A2CYP2A6AXLBACE1HSD17B1
SCHEMBL5537466 0.80 ALDH1A1 (0.51) CYP1A2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5538028 0.79 GRM5 (0.41) CYP1A2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL8404417 0.75 CYP1A2 (0.48) CYP1A2CYP2A6BACE1KDM4EALDH1A1
SCHEMBL2092452 0.72 CYP1A2 (0.37) CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E
SCHEMBL27902298 0.72 CYP2A6 (0.65) CYP1A2CYP2A6HSD17B1HSD17B2MAPT
SCHEMBL443070 0.71 CYP1A2 (0.79) CYP1A2CYP2A6AXLHSD17B1HSD17B2
SCHEMBL29447161 0.71 CYP1A2 (0.79) CYP1A2CYP2A6AXLHSD17B1HSD17B2
SCHEMBL5510892 0.71 CYP1A2 (0.59) CYP1A2CYP2A6MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 659/4885CYP2A6 1119/4885AXL 1402/4885

“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.