SCHEMBL5546174

SCHEMBL5546174

Cc1nc(C)c(-c2ccc(Cl)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.44
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 4/20 0.41
NR1H4 Q96RI1 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL472833 0.84 KDM4E (0.41) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL8192267 0.83 ENPP3 (0.42) ALDH1A1SMN1; SMN2TSHRKDM4EMAPK13
SCHEMBL31194859 0.82 MAPK13 (0.57) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5546170 0.81 ALDH1A1 (0.38) ALDH1A1LMNATSHRKDM4ENR1H4
SCHEMBL15088428 0.81 KDM4E (0.39) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL9434736 0.80 NPC1 (0.39) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL5545503 0.80 PTGS2 (0.54) CCR9SMN1; SMN2TSHRMAPK13MAPK12
SCHEMBL21051602 0.80 NPC1 (0.40) CCR9ALDH1A1SMN1; SMN2NR1H4MAPK13
SCHEMBL1617773 0.80 ACHE (0.43) ALDH1A1SMN1; SMN2KDM4EMAPK13MAPK12
SCHEMBL342242 0.79 MAPK13 (0.58) ALDH1A1SMN1; SMN2TSHRKDM4EMAPK13

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 7 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
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO 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 CCR9 947/4885ALDH1A1 355/4885SMN1; SMN2 3985/4885

“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.