SCHEMBL5542422

SCHEMBL5542422

C(=C1\C[N]CS1)\c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
F3 P13726 1/20 0.33
CA2 P00918 1/20 0.33
NAT1 P18440 1/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
MAOB P27338 2/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30

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
SCHEMBL5542423 1.00 CYP1A2 (0.35) CYP1A2PIM1PIM3PIM2F3
SCHEMBL6523611 0.68 PIM1 (0.39) CYP1A2PIM1PIM3PIM2F3
SCHEMBL6523616 0.68 PIM1 (0.39) CYP1A2PIM1PIM3PIM2F3
SCHEMBL28204823 0.65 PIM1 (0.41) CYP1A2PIM1PIM3PIM2F3
SCHEMBL5543116 0.65 PIM1 (0.44) CYP1A2PIM1PIM3PIM2F3
SCHEMBL21245889 0.65 CYP1A2 (0.42) CYP1A2PIM1PIM3PIM2F3
SCHEMBL21258165 0.65 CYP1A2 (0.42) CYP1A2PIM1PIM3PIM2F3
SCHEMBL5540235 0.65 AMY1A (0.40) CYP1A2ALDH1A1MEN1MAPTKMT2A
SCHEMBL5537543 0.64 NPSR1 (0.30) NPSR1
SCHEMBL5544742 0.62 PIM1 (0.49) CYP1A2PIM1PIM3PIM2F3

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 CYP1A2 659/4885PIM1 3129/4885PIM3 1958/4885

“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.