SCHEMBL21740355

SCHEMBL21740355

COc1cccc(CNCC(O)CC(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.61
BCHE P06276 2/20 0.58
CHRM2 P08172 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ANPEP P15144 1/20 0.52
HDAC1 Q13547 1/20 0.49
TAAR1 Q96RJ0 2/20 0.48
MCHR1 Q99705 1/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL27614960 0.85 DNM1 (0.60) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL2924382 0.84 DNM1 (0.62) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL27646012 0.81 DNM1 (0.58) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL26450919 0.81 DNM1 (0.59) DNM1BCHELMNAALDH1A1
SCHEMBL168266 0.81 DNM1 (0.62) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL6893475 0.80 DNM1 (0.52) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL7288681 0.80 DNM1 (0.58) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL13995736 0.80 CHRM2 (0.59) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL7288676 0.79 DNM1 (0.57) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL24494882 0.79 ALDH1A1 (0.54) DNM1BCHEMEN1KMT2AANPEP

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-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 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 (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-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 DNM1 3558/4885BCHE 3739/4885CHRM2 4769/4885

“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.