SCHEMBL5543224

SCHEMBL5543224

Clc1ccc(-n2[c]nnn2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.47
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.41
ABL1 P00519 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
ADRB1 P08588 1/20 0.37
DHFR P00374 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5542959 0.81 NOTUM (0.40) NOTUMALDH1A1
SCHEMBL5542562 0.79 NOTUM (0.42) NOTUMMAPTALDH1A1LMNAL3MBTL1
SCHEMBL5120604 0.76 NOTUM (0.45) NOTUMMAPTALDH1A1LMNAALOX12
SCHEMBL8630410 0.69 L3MBTL1 (0.43) NOTUMMAPTLMNAALOX12SMN1; SMN2
SCHEMBL11348738 0.66 ALDH1A1 (0.61) NOTUMMAPTALDH1A1LMNATSHR
SCHEMBL8880692 0.66 MAOA (0.43) MAPTALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL21776962 0.64 NOTUM (1.00) NOTUMMAPTALDH1A1LMNAHTT
SCHEMBL23451696 0.63 NOTUM (0.51) NOTUMMAPTALDH1A1LMNAABL1
SCHEMBL25208715 0.62 ALDH1A1 (0.62) NOTUMMAPTALDH1A1LMNATSHR
SCHEMBL5669758 0.62 MAPT (0.61) NOTUMMAPTALDH1A1LMNATSHR

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 NOTUM 3827/4885MAPT 4117/4885ALDH1A1 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.