SCHEMBL15028527

SCHEMBL15028527

CN[C@@H](C(=O)N(C)C)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
DPP4 P27487 3/20 0.39
AOC3 Q16853 1/20 0.39
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL17970204 0.82 MAPT (0.34) ROCK2MAPK1TDP1KCNH2
SCHEMBL15028487 0.82 KLRK1 (0.47) ROCK2HDAC4HDAC7HDAC5AOC3
SCHEMBL8273803 0.81 ACLY (0.47) KMT2A
SCHEMBL558019 0.79 HDAC3 (0.46) ROCK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL558020 0.79 HDAC3 (0.46) ROCK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13710928 0.78 HDAC3 (0.44) ROCK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29009204 0.76 ROCK2 (0.46) ROCK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3218001 0.76 CTSS (0.45) KMT2AMAPK1
SCHEMBL4425970 0.76 KMT2A (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20459562 0.73 DPP4 (0.48) KMT2ADPP4AOC3KCNH2DPP9

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-8980838-B2 Cyclized peptidomimetic small molecule inhibitors of the WDR5 and MLL1 interaction THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-17 US disclosed
US-20130150309-A1 CYCLIZED PEPTIDOMIMETIC SMALL MOLECULE INHIBITORS OF THE WDR5 AND MLL1 INTERACTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-13 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-20130150309-A1 CYCLIZED PEPTIDOMIMETIC SMALL MOLECULE INHIBITORS OF THE WDR5 AND MLL1 INTERACTION WDR5, WDR1, WDR77 ROCK2 2946/4885HDAC3 326/4885HDAC4 183/4885

“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.