SCHEMBL20768795

SCHEMBL20768795

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccccc4)nc3c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 9/20 0.73
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR119 Q8TDV5 1/20 0.46
HPGD P15428 2/20 0.46
GBA1 P04062 1/20 0.46
CNR2 P34972 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HDAC4 P56524 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
CRBN Q96SW2 1/20 0.44

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
SCHEMBL18706186 0.85 SMYD3 (1.00) SMYD3HPGDALDH1A1
SCHEMBL18706127 0.84 SMYD3 (0.56) SMYD3GPR119HPGD
SCHEMBL18705714 0.81 SMYD3 (0.66) SMYD3HPGD
SCHEMBL23015108 0.81 ALDH1A1 (0.53) SMYD3GPR119HPGDGBA1ALDH1A1
SCHEMBL29636833 0.81 ALDH1A1 (0.53) SMYD3GPR119HPGDGBA1ALDH1A1
SCHEMBL18706188 0.81 SMYD3 (0.60) SMYD3HPGDALDH1A1MAPT
SCHEMBL18706159 0.80 SMYD3 (0.72) SMYD3KMT2AHPGDALDH1A1MAPT
SCHEMBL18705905 0.80 SMYD3 (0.64) SMYD3HPGDALDH1A1MAPT
SCHEMBL20467457 0.79 ALDH1A1 (0.71) SMYD3MEN1KMT2AHPGDPOLB
SCHEMBL20768985 0.79 SMYD3 (0.70) SMYD3MEN1KMT2AGPR119HPGD

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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 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-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.