SCHEMBL1121692

SCHEMBL1121692

OCC(O)COc1cccc2nc(NC3CCNCC3)oc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RPS6KA2 Q15349 2/20 0.41
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
ELANE P08246 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.36
AGTR1 P30556 1/20 0.36
LMNA P02545 1/20 0.36
SSTR5 P35346 2/20 0.35
NR4A2 P43354 1/20 0.35
KCNH2 Q12809 1/20 0.35
CLK4 Q9HAZ1 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL1121645 0.93 HRH4 (0.42) CYP1A2CYP2C19KDM4EMEN1KMT2A
SCHEMBL1121646 0.84 RPS6KA2 (0.39) CYP1A2CYP2C19MEN1KMT2ARPS6KA2
SCHEMBL1121766 0.80 RPS6KA2 (0.45) CYP1A2CYP2C19KDM4ERPS6KA2ELANE
SCHEMBL1121458 0.79 RPS6KA2 (0.57) CYP1A2CYP2C19RPS6KA2ELANEIRAK4
SCHEMBL4594345 0.78 HDAC6 (0.43) IRAK4SSTR5KCNH2
SCHEMBL1121486 0.77 RPS6KA2 (0.43) CYP1A2CYP2C19RPS6KA2ELANELMNA
SCHEMBL1121482 0.76 SSTR5 (0.66) SSTR5KCNH2
SCHEMBL4593453 0.75 ELANE (0.50) CYP1A2CYP2C19MEN1KMT2ARPS6KA2
SCHEMBL1121162 0.75 SSTR5 (0.67) SSTR5KCNH2
SCHEMBL1121774 0.74 CYP1A2 (0.50) CYP1A2CYP2C19KDM4EMEN1KMT2A

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-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO 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 (2 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R CYP1A2 609/4885CYP2C19 355/4885KDM4E 3024/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R CYP1A2 609/4885CYP2C19 355/4885KDM4E 3024/4885

“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.