SCHEMBL5540045

SCHEMBL5540045

Cc1cnc(-c2ccccc2F)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
NOTUM Q6P988 2/20 0.45
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
KMT2A Q03164 2/20 0.44
RELA Q04206 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
C1R P00736 1/20 0.41
F2 P00734 2/20 0.41
PKM P14618 2/20 0.41

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
SCHEMBL23176766 0.81 RAB9A (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28293705 0.79 KDM4E (0.57) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12794312 0.79 EDNRB (0.39) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18955869 0.78 TTR (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5540037 0.78 KDM4E (0.55) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13086663 0.78 NPC1 (0.60) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1207825 0.78 NPC1 (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2288771 0.78 C1R (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Methyl Alcohol SCHEMBL27795304 0.75 NPC1 (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23176774 0.75 ATR (0.41) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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 KDM4E 4854/4885ALDH1A1 355/4885NPC1 2404/4885

“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.