SCHEMBL5546091

SCHEMBL5546091

Cc1cccc2ncc([O])cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 1/20 0.39
PDE2A O00408 1/20 0.39
PTGER3 P43115 2/20 0.38
PSMB5 P28074 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.36
PARP1 P09874 1/20 0.36
ELANE P08246 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL30666632 0.80 CYP1A2 (0.53) PDE3BPDE3ACYP1A2CYP2A6PDE2A
SCHEMBL2633153 0.80 CYP1A2 (0.53) PDE3BPDE3ACYP1A2CYP2A6PDE2A
SCHEMBL5546096 0.77 ALDH1A1 (0.41) PDE3BPDE3ACYP1A2CYP2A6PDE2A
SCHEMBL17309719 0.77 CYP1A2 (0.39) PDE3BPDE3ACYP1A2CYP2A6PDE2A
SCHEMBL21064338 0.77 CYP1A2 (0.39) PDE3BPDE3ACYP1A2CYP2A6PDE2A
SCHEMBL23674641 0.77 CYP1A2 (0.39) PDE3BPDE3ACYP1A2CYP2A6PSMB5
SCHEMBL18378968 0.77 CYP1A2 (0.39) PDE3BPDE3ACYP1A2CYP2A6PDE2A
SCHEMBL9353615 0.75 MGAM (0.56) PDE3BPDE3APDE2AALDH1A1
SCHEMBL14493403 0.74 CYP1A2 (0.37) PDE3BPDE3ACYP1A2CYP2A6PDE2A
SCHEMBL22766493 0.74 MTNR1B (0.50) CYP1A2NPC1LMNAALDH1A1CYP3A4

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 PDE3B 3677/4885PDE3A 4066/4885CYP1A2 659/4885

“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.