SCHEMBL5543909

SCHEMBL5543909

Cc1ccc2c(c1)C(C)(C)CN2C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.34
F2 P00734 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
CNR1 P21554 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 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
SCHEMBL5536032 0.77 ALDH1A1 (0.43) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL13209362 0.77 NOTUM (0.50)
SCHEMBL30448941 0.77 NOTUM (0.50)
SCHEMBL5542437 0.72 ALDH1A1 (0.39) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL5539777 0.72 RARA (0.39) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL12791746 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1607911 0.70 NOTUM (0.64) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL5540500 0.70 ALDH1A1 (0.40) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL19936193 0.69
SCHEMBL22346077 0.69 KMT2A (0.42) ALDH1A1LMNATSHRPOLBKMT2A

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 ALDH1A1 355/4885LMNA 4152/4885TSHR 319/4885

“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.