SCHEMBL20364682

SCHEMBL20364682

CC(C)C(=O)c1ccc2onnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
DBH P09172 1/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
HTR1B P28222 2/20 0.36
SLC27A1 Q6PCB7 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HCAR3 P49019 3/20 0.34
HPGD P15428 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
FFAR1 O14842 1/20 0.33
HDAC2 Q92769 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2776562 0.80 TDP1 (0.44) KDM4EGAAHCAR3HPGDHCAR2
SCHEMBL15019261 0.78 TSHR (0.40) KMT2A
SCHEMBL2779111 0.78 HDAC6 (0.32) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18184676 0.77 ATM (0.44) KDM4ESLC27A1HCAR3HPGDRAB9A
SCHEMBL13689278 0.71 GAA (0.50) KDM4EDBHGAARECQLHDAC3
SCHEMBL20368410 0.71 KDM4E (0.46) KDM4EDBHGAARECQLHCAR3
SCHEMBL17559568 0.70 KDM4E (0.53) KDM4EDBHGAARECQLHTR1B
SCHEMBL20364681 0.69 NPC1 (0.54) KDM4EDBHGAARECQLHDAC6
SCHEMBL13689270 0.68 NPC1 (0.50) KDM4EDBHGAARECQLHPGD
SCHEMBL12173891 0.68 TAS1R3 (0.59) KDM4EDBHGAARECQLHTR1B

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-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 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 (2 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-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 KDM4E 1920/4885DBH 245/4885GAA 17/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 KDM4E 2169/4885DBH 211/4885GAA 16/4885

“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.