SCHEMBL5535846

SCHEMBL5535846

FC(F)(F)Oc1cccc2ccc[c]c12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.35
SCN9A Q15858 6/20 0.33
SLC40A1 Q9NP59 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 1/20 0.31
F2RL3 Q96RI0 2/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 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
SCHEMBL5143572 0.81 KCNH2 (0.38) KDM4E
SCHEMBL622920 0.75 DDB1 (0.34) MPLSCN9AKDM4E
SCHEMBL160453 0.75 EPHX2 (0.35) MPLSCN9AKDM4ETRPA1
SCHEMBL457448 0.75 CA1 (0.42) KDM4ECYP3A4
SCHEMBL457854 0.73 SCN9A (0.32) MPLSCN9AKDM4E
SCHEMBL591521 0.73 GRIA1 (0.36) SCN9AKDM4ETRPA1
SCHEMBL1046580 0.73 KDM4E (0.34) MPLSCN9AKDM4EPOLBNPSR1
SCHEMBL5126421 0.73 MPL (0.36) MPLSCN9AKDM4E
SCHEMBL1069544 0.73 HSD11B1 (0.36) MPLSCN9AKDM4EKCNK3KCNK9
SCHEMBL5544077 0.73 SCN9A (0.36) MPLSCN9ASLC40A1KDM4EALPL

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 MPL 4578/4885SCN9A 3612/4885SLC40A1 2874/4885

“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.