SCHEMBL5536022

SCHEMBL5536022

[CH2]CC#Cc1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.50
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 4/20 0.44
ACHE P22303 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL8993127 0.82 GRM5 (0.52) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL30469481 0.80 GRM5 (0.69) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL30469478 0.80 GRM5 (0.69) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL4562089 0.80 GRM5 (0.69) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL5174894 0.80 CYP2C19 (0.57) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL79281 0.80 GRM5 (0.50) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL28469408 0.80 GRM5 (0.50) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL29080251 0.79 GRM5 (0.46) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL23704113 0.79 ACHE (0.57) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL11068905 0.78 GRM5 (0.49) GRM5HTTSMN1; SMN2FFAR1ACHE

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 GRM5 897/4885HTT 4644/4885SMN1; 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.