SCHEMBL1492665

SCHEMBL1492665

CC(C(=O)OC(C)(C)C)c1ccc2cnccc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 7/20 0.43
NR3C1 P04150 1/20 0.42
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
RIOK2 Q9BVS4 1/20 0.40
IMPDH2 P12268 1/20 0.39

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
SCHEMBL16811747 0.81 UGT2B7 (0.50) APPTDP1L3MBTL1PTGS2PTGS1
SCHEMBL31038946 0.80 APP (0.49) APPTDP1L3MBTL1PTGS2PTGS1
SCHEMBL14696997 0.80 APP (0.49) APPTDP1L3MBTL1PTGS2PTGS1
SCHEMBL17369552 0.80 APP (0.49) APPTDP1L3MBTL1PTGS2PTGS1
SCHEMBL16811746 0.80 APP (0.49) APPTDP1L3MBTL1PTGS2PTGS1
SCHEMBL31370526 0.80 AKR1C3 (0.58) ROCK2PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL1492894 0.80 AKR1C3 (0.58) ROCK2PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL16812505 0.79 TDP1 (0.69) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL21877367 0.79 ROCK2 (0.46) ROCK2RIOK2IMPDH2
Hydrochloric Acid SCHEMBL111598 0.77 ROCK2 (0.45) ROCK2RIOK2IMPDH2

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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 APP 8/4885TDP1 1020/4885L3MBTL1 4412/4885

“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.