SCHEMBL5544530

SCHEMBL5544530

Cc1ccc(-c2ccccc2Br)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAOB P27338 4/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAOA P21397 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
PPARG P37231 2/20 0.47
NCOA2 Q15596 2/20 0.47
NCOA1 Q15788 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PKM P14618 2/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL12826605 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5544524 0.75 MAOB (0.47) ALDH1A1MAOBSMN1; SMN2MAOAMEN1
SCHEMBL22537024 0.75 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5544657 0.75 SMN1; SMN2 (0.49) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1616485 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2976632 0.75 ALDH1A1 (0.49) ALDH1A1MAOBKDM4ESMN1; SMN2MEN1
SCHEMBL2608431 0.73 NPFFR1 (0.49) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL23641115 0.72 SLC9A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL10028056 0.72 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4798053 0.72 ALDH1A1 (0.46) ALDH1A1MAOBKDM4ESMN1; SMN2MEN1

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 9 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
EP-0652869-B1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY LUSO FARMACO INST (IT) 1997-03-26 EP disclosed
US-5538987-A Imidazole ethers having a II antagonist activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-07-23 US disclosed
EP-0652869-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY. LUSO FARMACO INST (IT) 1995-05-17 EP disclosed
WO-1994002467-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY INSTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-02-03 WO 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 355/4885MAOB 2140/4885KDM4E 4854/4885

“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.