SCHEMBL20768985

SCHEMBL20768985

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 8/20 0.70
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT3 P40763 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
IDE P14735 2/20 0.46
CNR2 P34972 1/20 0.46
HDAC4 P56524 1/20 0.44
CFTR P13569 1/20 0.43
HPGD P15428 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
DYRK2 Q92630 1/20 0.43

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
SCHEMBL31464757 0.88 SMYD3 (0.56) SMYD3MEN1KMT2APOLBMAPT
SCHEMBL30993299 0.84 IDE (0.51) SMYD3MEN1KMT2APOLBMAPT
SCHEMBL18738049 0.83 SMYD3 (1.00) SMYD3IDE
SCHEMBL6179731 0.82 MEN1 (0.61) SMYD3MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4150653 0.82 SMYD3 (0.66) SMYD3MEN1KMT2APOLBMAPT
SCHEMBL31464760 0.82 SMYD3 (0.49) SMYD3MEN1KMT2APOLBCCNC
SCHEMBL31464715 0.80 SMYD3 (0.48) SMYD3MEN1KMT2APOLBMAPT
SCHEMBL31464421 0.80 SMYD3 (0.49) SMYD3MEN1KMT2APOLBMAPT
SCHEMBL20768795 0.79 SMYD3 (0.73) SMYD3MEN1KMT2APOLBMAPT
SCHEMBL30425861 0.79 SMYD3 (0.51) SMYD3POLBIDEGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 SMYD3 1/4885MEN1 1006/4885KMT2A 29/4885

“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.