SCHEMBL121682

SCHEMBL121682

CC(C)[Si](OCc1cccc2nc(C(=O)O)cn12)(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL119119 0.86 GAA (0.62) GAAKDM4ERAB9APOLBCYP1A2
SCHEMBL7277074 0.78 GAA (0.50) GAAPTGS1PTGS2KDM4EALOX15
Methyl Alcohol SCHEMBL9753894 0.76 PTGS1 (0.45) GAAPTGS1PTGS2KDM4EALOX15
SCHEMBL8609867 0.76 PTGS1 (0.47) GAAPTGS1PTGS2KDM4EALOX15
SCHEMBL8607323 0.75 GAA (0.42) GAAPTGS1PTGS2KDM4EALOX15
SCHEMBL8606427 0.73 GAA (0.41) GAAPTGS1PTGS2KDM4EALOX15
SCHEMBL8607760 0.72 PTGS1 (0.44) GAAPTGS1PTGS2KDM4EALOX15
SCHEMBL9314497 0.72 GAA (0.47) GAAPTGS1PTGS2KDM4EALOX15
SCHEMBL3716081 0.71 PTGS1 (0.49) GAAPTGS1PTGS2KDM4EALOX15
SCHEMBL8606725 0.71 PTGS1 (0.40) GAAPTGS1PTGS2KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906221-B1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RES INST (US) 2019-05-15 EP disclosed
US-9969743-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 US disclosed
US-9598387-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 US disclosed
EP-2906221-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF Southern Research Institute (US) 2015-08-19 EP disclosed
WO-2014059265-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2014-04-17 WO disclosed
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 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 (3 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-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A GAA 2092/4885PTGS1 4398/4885PTGS2 3658/4885
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP GAA 30/4885PTGS1 1301/4885PTGS2 2014/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R GAA 1501/4885PTGS1 4663/4885PTGS2 4172/4885

“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.