SCHEMBL5542547

SCHEMBL5542547

Cc1ccc(C)c(CN[C]=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KDM4C Q9H3R0 1/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.38
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5545623 0.85 NPC1 (0.46) NPC1RAB9APOLBKMT2ANR3C1
SCHEMBL1299816 0.76 HPGD (0.49) NPC1RAB9ATAAR1POLBKMT2A
SCHEMBL13948898 0.75 TAAR1 (0.52) NPC1RAB9ATAAR1KDM4CPOLB
SCHEMBL1758599 0.74 TAAR1 (0.55) NPC1RAB9ATAAR1POLBKMT2A
SCHEMBL11618418 0.74 TAAR1 (0.55) NPC1RAB9ATAAR1KDM4CPOLB
SCHEMBL5542553 0.73 NPC1 (0.46) NPC1RAB9ATAAR1KDM4CPOLB
SCHEMBL30787471 0.73 NPC1 (0.57) NPC1RAB9ATAAR1KDM4CPOLB
SCHEMBL10746076 0.72 ALDH1A1 (0.49) NPC1RAB9ATAAR1KDM4CPOLB
SCHEMBL13496002 0.72 TAAR1 (0.48) NPC1RAB9ATAAR1KDM4CPOLB
SCHEMBL29462885 0.72 TAAR1 (0.58) NPC1RAB9ATAAR1POLBKMT2A

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 NPC1 2404/4885RAB9A 2824/4885TAAR1 364/4885

“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.