SCHEMBL5544022

SCHEMBL5544022

[CH2]c1csc2ccc(OCC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 6/20 0.54
HSD17B10 Q99714 5/20 0.54
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 4/20 0.43
TP53 P04637 3/20 0.43
NQO1 P15559 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALOX12 P18054 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
MTNR1A P48039 1/20 0.40
PSMB8 P28062 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL5534567 0.87 MAPT (0.67) ALDH1A1MAPTHSD17B10KDM4ENPC1
SCHEMBL5534569 0.81 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10KDM4ENPC1
SCHEMBL5547486 0.81 MTNR1A (0.47) ALDH1A1MAPTHSD17B10KDM4ENPC1
SCHEMBL5543995 0.75 ALDH1A1 (0.47) ALDH1A1MAPTHSD17B10KDM4ENPC1
SCHEMBL5542588 0.73 GPR3 (0.42) MAPTHSD17B10KDM4ENPC1RAB9A
SCHEMBL5537460 0.71 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10KDM4ENPC1
SCHEMBL5544027 0.71 ALDH1A1 (0.69) ALDH1A1MAPTHSD17B10KDM4ENPC1
SCHEMBL9215496 0.71 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10KDM4ENPC1
SCHEMBL17140096 0.71 MAPT (0.44) MAPTTP53LMNA
SCHEMBL16962203 0.68 NQO1 (0.48) ALDH1A1MAPTHSD17B10KDM4ENPC1

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 ALDH1A1 355/4885MAPT 4117/4885HSD17B10 467/4885

“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.