SCHEMBL5542574

SCHEMBL5542574

CCc1ccc2[c]sc(C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
KIF11 P52732 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
RAD52 P43351 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTR1A P08908 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL5541701 0.85 KIF11 (0.36) TRPA1CYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL3140610 0.76 CYP2A6 (0.42) CYP1A2CYP2A6ALDH1A1LMNAHPGD
SCHEMBL5535496 0.76 CYP1A2 (0.33) TRPA1CYP1A2CYP2A6THRBSMN1; SMN2
SCHEMBL5537475 0.73 LMNA (0.33) CYP2A6ALDH1A1LMNAHTTHPGD
SCHEMBL5542579 0.70 TRPA1 (0.35) TRPA1CYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL5544606 0.69 KIF11 (0.41) TRPA1MAPTKIF11KMT2AMEN1
SCHEMBL2887036 0.68 TRPA1 (0.40) TRPA1CYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL5541706 0.67 NPC1 (0.38) TRPA1CYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL14117288 0.64 SMN1; SMN2 (0.39) TRPA1CYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL5540721 0.64 CYP1A2 (0.44) TRPA1CYP1A2CYP2A6ALDH1A1LMNA

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 TRPA1 3038/4885CYP1A2 659/4885CYP2A6 1119/4885

“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.