SCHEMBL5544665

SCHEMBL5544665

[CH2]CCCCc1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 3/20 0.38
FFAR1 O14842 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
RAB9A P51151 3/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLAU P00749 1/20 0.33
GALR3 O60755 1/20 0.33
NOX4 Q9NPH5 1/20 0.33

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
SCHEMBL2049305 0.94 CYP19A1 (0.41) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL28248440 0.90 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL5534668 0.86 CYP19A1 (0.43) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL28248935 0.86 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL2154210 0.81 SMN1; SMN2 (0.49) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL6952816 0.81 FFAR1 (0.46) SMN1; SMN2TSHRFFAR1HPGDKDM4E
SCHEMBL978626 0.81 LIPG (0.50) CYP19A1SMN1; SMN2ALDH1A1TSHRRAB9A
SCHEMBL6685317 0.79 LIPG (0.53) TSHRHSD17B10
SCHEMBL6956286 0.79 LIPG (0.53) TSHRHSD17B10
SCHEMBL6952873 0.79 NAAA (0.46) MAPTTSHRFFAR1HPGDKDM4E

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 CYP19A1 3120/4885SMN1; SMN2 3985/4885ALDH1A1 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.