SCHEMBL5544788

SCHEMBL5544788

Cc1cc(-c2ccc(Br)cc2)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 4/20 0.37
MAOB P27338 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PTGS2 P35354 1/20 0.36
MAOA P21397 1/20 0.36
CYP2A6 P11509 1/20 0.35
POLB P06746 2/20 0.33
HSP90AA1 P07900 2/20 0.33
MAPT P10636 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL12267119 0.82 ENPP3 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL5542675 0.78 KDM4E (0.33) ALDH1A1GAALMNAKDM4EHPGD
SCHEMBL5543811 0.78 GSK3B (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL5537766 0.78 CYP1A2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL5541408 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL6750099 0.76 GAA (0.45) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL5540680 0.75 PGR (0.37) ALDH1A1GAALMNAKDM4EHPGD
SCHEMBL5544785 0.74 ALDH1A1 (0.41) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL1016586 0.71
SCHEMBL5544064 0.69 ALDH1A1 (0.48) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2

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 ALDH1A1 355/4885MAPK1 1392/4885NPC1 2404/4885

“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.