SCHEMBL5535936

SCHEMBL5535936

CCCNc1cccc2[c]cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
RECQL P46063 1/20 0.37
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35

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
SCHEMBL8055313 0.86 IDO1 (0.43) IDO1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL11509092 0.80 IDO1 (0.66) IDO1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL3482992 0.77 IDO1 (0.38) IDO1ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL6066253 0.74 IDO1 (0.49) IDO1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL6760625 0.73 KEAP1 (0.57) HSD17B10KDM4EGAAHPGDRECQL
SCHEMBL31268310 0.73 CA12 (0.67) IDO1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL959196 0.73 CA12 (0.67) IDO1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL8313416 0.72 IDO1 (0.43) IDO1KDM4ECA12CA14TDP1
SCHEMBL11400923 0.70 IDO1 (0.80) IDO1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL1371457 0.70 NQO2 (0.33) ALDH1A1KDM4EGAAHPGD

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 IDO1 3181/4885ALDH1A1 355/4885TSHR 319/4885

“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.