SCHEMBL5541836

SCHEMBL5541836

Cc1cccc(-c2ncc(CO[C]=O)s2)c1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.33
HTR2C P28335 1/20 0.33
CTSA P10619 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AVPR2 P30518 3/20 0.32
OXTR P30559 3/20 0.32
AVPR1A P37288 1/20 0.32
S1PR1 P21453 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
FFAR1 O14842 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL5546252 0.80 KDM4E (0.43) HSD17B13CTSAKDM4E
SCHEMBL5539232 0.80 KDM4E (0.42) HSD17B13KDM4ENPC1RAB9AFFAR1
SCHEMBL5544714 0.78 AVPR2 (0.41) CTSAAVPR2AVPR1AFFAR1
SCHEMBL5540137 0.77 ADRA2A (0.32) L3MBTL1
SCHEMBL5540526 0.75 CYP11B1 (0.49) MAPTKDM4ENPC1RAB9ACYP11B1
SCHEMBL5542077 0.72 SLC6A3 (0.39) L3MBTL1KDM4ERAB9A
SCHEMBL5537739 0.71 KDM4E (0.40) HSD17B13L3MBTL1MAPTKDM4ERAB9A
SCHEMBL5540315 0.70 CYP1A2 (0.45) L3MBTL1MAPTKDM4ENPC1RAB9A
SCHEMBL5545462 0.69 HDAC1 (0.39) FFAR1CYP11B1CYP11B2
SCHEMBL5545436 0.68 MEN1 (0.42) HSD17B13L3MBTL1MAPT

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 HSD17B13 126/4885L3MBTL1 1931/4885MAPT 4117/4885

“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.