SCHEMBL4082454

SCHEMBL4082454

CC(C)(C)OC(=O)C=Cc1cc(Cl)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.46
MAPT P10636 2/20 0.36
ATR Q13535 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ESR1 P03372 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
CNR2 P34972 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL4082451 1.00 XPO1 (0.46) XPO1MAPTATRKDM4EALDH1A1
SCHEMBL13199834 0.84 NPC1 (0.37) XPO1MAPTKDM4EMEN1KMT2A
SCHEMBL29302292 0.84 TTR (0.43) MAPTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL29136981 0.84 TTR (0.43) MAPTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL4096951 0.80 TTR (0.47) XPO1MAPTALDH1A1L3MBTL1NPC1
SCHEMBL4096954 0.80 TTR (0.47) XPO1MAPTALDH1A1L3MBTL1NPC1
SCHEMBL732497 0.79 TRPA1 (0.43) XPO1MAPTKDM4EALDH1A1MEN1
SCHEMBL27737451 0.79 TRPA1 (0.43) XPO1MAPTKDM4EALDH1A1MEN1
SCHEMBL230883 0.79 HSP90AA1 (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL230882 0.79 HSP90AA1 (0.49) MAPTKDM4EALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
EP-1897880-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-03-12 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-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF MIF, CCL2, MSR1 XPO1 1237/4885MAPT 4755/4885ATR 3274/4885

“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.