SCHEMBL5545802

SCHEMBL5545802

Cc1cocc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR2 Q92731 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL5538969 0.78 ESR1 (0.41) ESR1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5546060 0.77 CYP2A6 (0.45) ESR1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL13779987 0.77 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL5536957 0.76 MAOB (0.45) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL12205435 0.75 ESR1 (0.39) ESR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28288265 0.75 ABL1 (0.44) NPC1RAB9AALDH1A1ESR2MAPT
SCHEMBL28177036 0.74 ESR1 (0.78) ESR1MAOBMAOAESR2MAPT
SCHEMBL5545800 0.74 ESR1 (0.41) ESR1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL28600946 0.74 ESR1 (0.37) ESR1ESR2
SCHEMBL28177044 0.74 MEN1 (0.47) ESR1NPC1RAB9ASMN1; SMN2MAOB

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 ESR1 1578/4885NPC1 2404/4885RAB9A 2824/4885

“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.