SCHEMBL4500835

SCHEMBL4500835

CC(C)(C)OC(=O)N1CCCCC(NC(=N)N)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
USP30 Q70CQ3 6/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PARP1 P09874 2/20 0.48
HPGD P15428 1/20 0.47
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
HSD11B1 P28845 3/20 0.43
CYP2C9 P11712 1/20 0.43
PBK Q96KB5 1/20 0.41
PREP P48147 1/20 0.40

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
SCHEMBL10165886 0.96 USP30 (0.54) EPHX1USP30CA1CA2PARP1
SCHEMBL23602645 0.96 USP30 (0.54) EPHX1USP30CA1CA2PARP1
SCHEMBL10205689 0.96 USP30 (0.54) EPHX1USP30CA1CA2PARP1
Hydrochloric Acid SCHEMBL2490701 0.95 USP30 (0.53) EPHX1USP30CA1CA2PARP1
Hydrochloric Acid SCHEMBL2490699 0.95 USP30 (0.53) EPHX1USP30CA1CA2PARP1
SCHEMBL4196587 0.91 EPHX1 (0.55) EPHX1USP30PARP1HDAC4HDAC6
SCHEMBL27761003 0.85 USP30 (0.56) EPHX1USP30CA1CA2PARP1
Hydrochloric Acid SCHEMBL29854456 0.83 EPHX1 (0.44) EPHX1USP30CA1CA2PARP1
SCHEMBL31032306 0.83 CA1 (0.60) EPHX1USP30CA1CA2PARP1
SCHEMBL10165816 0.82 EPHX1 (0.65) EPHX1CA1CA2PARP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 EPHX1 1627/4885USP30 4234/4885CA1 3068/4885

“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.