SCHEMBL4807692

SCHEMBL4807692

CCOc1ccc(-n2c([C@@H](C)NC(=O)OC(C)(C)C)nc3c(c2=O)CCCN3C(C)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.37
OGG1 O15527 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.36
ACACB O00763 6/20 0.35
CXCR3 P49682 1/20 0.35
MMP1 P03956 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 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
SCHEMBL4807704 1.00 TP53 (0.38) TP53THRBOGG1ALDH1A1CYP2C9
SCHEMBL4810840 0.90 CXCR3 (0.41) TP53THRBALDH1A1KMT2AACACB
SCHEMBL4810832 0.90 CXCR3 (0.41) TP53THRBALDH1A1KMT2AACACB
SCHEMBL4810120 0.85 TP53 (0.41) TP53THRBALDH1A1KMT2AACACB
SCHEMBL4810109 0.85 TP53 (0.41) TP53THRBALDH1A1KMT2AACACB
SCHEMBL4811584 0.84 ALDH1A1 (0.41) TP53THRBOGG1ALDH1A1CYP2C9
SCHEMBL4814189 0.82 TP53 (0.38) TP53THRBALDH1A1KMT2AACACB
SCHEMBL14178889 0.82 TP53 (0.38) TP53THRBALDH1A1KMT2AACACB
SCHEMBL4815157 0.79 ALDH1A1 (0.36) TP53THRBOGG1ALDH1A1CYP2C9
SCHEMBL4815148 0.79 ALDH1A1 (0.36) TP53THRBOGG1ALDH1A1CYP2C9

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-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 US disclosed
US-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 US disclosed
US-20060069106-A1 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC 2006-03-30 US 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-20060069106-A1 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use IFNG, IRF3, TBXA2R TP53 1740/4885THRB 2491/4885OGG1 2593/4885

“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.