SCHEMBL5544302

SCHEMBL5544302

CCCCNc1ccc2c[c]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
AR P10275 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
BCHE P06276 1/20 0.35
TRPC3 Q13507 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
SCHEMBL3482901 0.82 ABL1 (0.42) ABL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10489352 0.80 ALDH1A1 (0.60) ABL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19904496 0.78 KCNH3 (0.49) ABL1ARALDH1A1CYP1A2CYP3A4
SCHEMBL3483007 0.75 EGFR (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3482867 0.75 ABL1 (0.39) ABL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL694336 0.75 MAPT (0.43) ABL1ALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL8589161 0.75 EPHX1 (0.60) ABL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11683978 0.73 EPHX1 (0.62) ABL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11686248 0.73 EPHX1 (0.62) ABL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10583953 0.73 EPHX1 (0.62) ABL1ALDH1A1CYP1A2CYP3A4CYP2D6

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 6 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
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 ABL1 2364/4885AR 254/4885ALDH1A1 355/4885

“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.