SCHEMBL1760025

SCHEMBL1760025

COc1ncc(C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 6/20 0.44
ATF1 P18846 5/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.40
CNR2 P34972 3/20 0.39
XPO1 O14980 3/20 0.39
ASPH Q12797 1/20 0.38
GAA P10253 2/20 0.38
JUN P05412 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1759818 0.86 MAPT (0.53) NFKB1ATF1KDM4EMAPTCNR2
SCHEMBL14556246 0.84 KDM4E (0.51) NFKB1ATF1KDM4EMAPTCNR2
SCHEMBL2118779 0.78 KDM4E (0.47) NFKB1ATF1KDM4EXPO1ASPH
SCHEMBL8544671 0.76 XPO1 (0.42) NFKB1ATF1KDM4ECNR2XPO1
SCHEMBL4763537 0.76 HPGD (0.54) KDM4EGAATDP1POLBLMNA
SCHEMBL8546804 0.76 NFKB1 (0.56) NFKB1ATF1KDM4ECNR2XPO1
SCHEMBL9564859 0.76 XPO1 (0.46) NFKB1ATF1KDM4EMAPTCNR2
SCHEMBL2745323 0.76 TDP1 (0.51) KDM4EGAATDP1POLBLMNA
SCHEMBL1932956 0.76 TDP1 (0.40) KDM4EMAPTGAATDP1POLB
SCHEMBL480176 0.75 XPO1 (0.62) NFKB1ATF1XPO1JUNNFKB2

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-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R NFKB1 4253/4885ATF1 1057/4885KDM4E 2556/4885

“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.