SCHEMBL5543495

SCHEMBL5543495

[CH2]CCc1cc2cc(Cl)ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
HDAC6 Q9UBN7 1/20 0.35
CYP2A6 P11509 4/20 0.34
ASIC3 Q9UHC3 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDO1 P14902 1/20 0.33
TMEM97 Q5BJF2 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
PSMB8 P28062 1/20 0.33
CYP2C19 P33261 1/20 0.33
CMA1 P23946 1/20 0.33
AGXT P21549 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL5542366 0.90 AKR1B1 (0.36) AKR1B1LOXL2HDAC6CYP2A6ASIC3
SCHEMBL5540135 0.88 AKR1B1 (0.36) AKR1B1LOXL2HDAC6CYP2A6ASIC3
SCHEMBL2095299 0.87 AKR1B1 (0.35) AKR1B1LOXL2HDAC6CYP2A6ASIC3
SCHEMBL2090663 0.85 CYP2A6 (0.40) AKR1B1LOXL2HDAC6CYP2A6ASIC3
SCHEMBL2039262 0.82 CYP2A6 (0.42) AKR1B1LOXL2HDAC6CYP2A6ASIC3
SCHEMBL16414423 0.82 AKR1B1 (0.38) AKR1B1LOXL2HDAC6CYP2A6ASIC3
SCHEMBL2080656 0.79 AKR1B1 (0.40) AKR1B1LOXL2HDAC6CYP2A6ASIC3
SCHEMBL2094705 0.78 AKR1B1 (0.41) AKR1B1LOXL2HDAC6CYP2A6ASIC3
SCHEMBL11485426 0.78 CYP2A6 (0.58) AKR1B1LOXL2HDAC6CYP2A6ASIC3
SCHEMBL2056139 0.78 AKR1B1 (0.39) AKR1B1LOXL2CYP2A6ASIC3SMN1; SMN2

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 AKR1B1 495/4885LOXL2 3768/4885HDAC6 941/4885

“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.