SCHEMBL4317680

SCHEMBL4317680

CCc1cc(C#C[Si](C)(C)C)ccc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRA4 P48169 3/20 0.35
GABRA6 Q16445 2/20 0.35
ACACB O00763 2/20 0.34
HPGD P15428 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
PLA2G1B P04054 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ATG4B Q9Y4P1 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
SCHEMBL27801224 0.87 LOX (0.32) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL4308442 0.86 GABRA1 (0.31) GABRA1GABRA5KMT2AMEN1HTT
SCHEMBL4313333 0.81 BACE1 (0.38) CYP3A4
SCHEMBL4306191 0.79 MAPT (0.40) HPGDKMT2AMEN1HTTL3MBTL1
SCHEMBL4309267 0.79 MEN1 (0.34) ACACBHPGDKMT2ACYP1A2CYP2C9
SCHEMBL4309746 0.78 LMNA (0.32) ACACBHPGDKMT2ACYP1A2CYP2C9
SCHEMBL4304316 0.77 ACACB (0.41) ACACBCYP3A4L3MBTL1SMN1; SMN2
SCHEMBL4306215 0.77 L3MBTL1 (0.35) ACACBHPGDKMT2ACYP1A2CYP2C9
SCHEMBL6180348 0.75 GABRA1 (0.36) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL15108891 0.75 NTRK1 (0.42) HPGDKMT2AMEN1KCNH2GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101641335-A Amino-5-[substituted-4-(difluoromethoxy)phenyl]-5- phenylimidazolone compounds as ss-secretase inhibitors WYETH CORP US 2010-02-03 CN disclosed
EP-2137161-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-30 EP disclosed
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 US disclosed
WO-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 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 (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-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP GABRA1 1520/4885GABRA5 547/4885GABRG2 1457/4885

“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.