SCHEMBL5541701

SCHEMBL5541701

CCc1ccc2c(C)s[c]c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 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
SCHEMBL5542574 0.85 TRPA1 (0.35) KIF11TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL5540987 0.73 ALDH1A1 (0.31) ALDH1A1LMNAHPGDMAPK1
SCHEMBL5541706 0.70 NPC1 (0.38) KIF11TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL2887036 0.68 TRPA1 (0.40) KIF11TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL5542579 0.67 TRPA1 (0.35) KIF11TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL5535496 0.64 CYP1A2 (0.33) TRPA1CYP1A2CYP2A6THRBSMN1; SMN2
SCHEMBL3140610 0.64 CYP2A6 (0.42) CYP1A2CYP2A6ALDH1A1LMNAHPGD
SCHEMBL5540454 0.64 CYP1A2 (0.44) KIF11TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL13437908 0.63 RAB9A (0.48) KIF11TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL18966447 0.62 MAPT (0.42) KIF11TRPA1CYP1A2CYP2A6ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 KIF11 3946/4885TRPA1 3038/4885CYP1A2 659/4885

“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.