SCHEMBL16319084

SCHEMBL16319084

CC(C)(C)[Si](C)(C)OCc1cnc(Cl)c(OCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.39
PLAU P00749 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
ALOX5AP P20292 1/20 0.37
ABCB1 P08183 1/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL22621079 0.81 MEN1 (0.44) MAPK1LMNAABCB1NPC1RAB9A
SCHEMBL1315036 0.78 IDO1 (0.46) MAPTMAPK1TDP1L3MBTL1LMNA
SCHEMBL22398472 0.78 MAOB (0.43) MAPTMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL334852 0.78 ALDH1A1 (0.36) TDP1L3MBTL1
SCHEMBL17494984 0.78 SMN1; SMN2 (0.39) PLAUMAPTMAPK1TDP1L3MBTL1
SCHEMBL17494960 0.77 NUDT1 (0.38) PLAUMAPTMAPK1TDP1L3MBTL1
SCHEMBL16319383 0.76 NPC1 (0.48) LRRK2PLAUMAPTLTA4HMAPK14
SCHEMBL5196530 0.76 MAPK1 (0.42) MAPK1LMNANPC1RAB9A
SCHEMBL15065792 0.76 AOC3 (0.53) MAPTMAPK1TDP1L3MBTL1LTA4H
SCHEMBL22398473 0.75 EGFR (0.44) MAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 LRRK2 1587/4885PLAU 4750/4885MAPT 3110/4885

“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.