SCHEMBL5548434

SCHEMBL5548434

Brc1cccc(Nc2cc[c]cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
AR P10275 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
EGFR P00533 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
EPAS1 Q99814 1/20 0.41
MAP2K1 Q02750 1/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.41
KDR P35968 1/20 0.41
ERBB2 P04626 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 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
SCHEMBL29961149 0.85 RAPGEF4 (0.61) RAPGEF4MEN1KMT2AALDH1A1AR
SCHEMBL29961547 0.85 RAPGEF4 (0.61) RAPGEF4MEN1KMT2AALDH1A1AR
SCHEMBL1687027 0.85 RAPGEF4 (0.61) RAPGEF4MEN1KMT2AALDH1A1AR
SCHEMBL72905 0.83 MEN1 (0.68) RAPGEF4MEN1KMT2AALDH1A1AR
SCHEMBL17986638 0.81 RAPGEF4 (0.53) RAPGEF4MEN1KMT2AALDH1A1AR
SCHEMBL5543171 0.76 RAPGEF4 (0.42) RAPGEF4MEN1KMT2AALDH1A1MAPT
SCHEMBL11685898 0.76 CYP3A4 (0.53) RAPGEF4MEN1KMT2AALDH1A1AR
SCHEMBL8470618 0.76 EGFR (0.51) RAPGEF4MEN1KMT2AALDH1A1AR
SCHEMBL17863881 0.76 RAPGEF4 (0.62) RAPGEF4MEN1KMT2AALDH1A1AR
SCHEMBL29980421 0.76 RAPGEF4 (0.49) RAPGEF4MEN1KMT2AALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 RAPGEF4 4025/4885MEN1 3295/4885KMT2A 4267/4885

“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.