SCHEMBL21489802

SCHEMBL21489802

NC1CCC(NC(=O)Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.80
POLB P06746 2/20 0.69
HTT P42858 1/20 0.69
SIGMAR1 Q99720 4/20 0.66
CCR2 P41597 1/20 0.66
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
P2RX7 Q99572 1/20 0.52
MAPK8 P45983 1/20 0.50
IDH2 P48735 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL19701393 1.00 SMYD3 (0.80) SMYD3POLBHTTSIGMAR1CCR2
SCHEMBL21490108 0.89 SMYD3 (1.00) SMYD3POLBHTTSIGMAR1CCR2
SCHEMBL19710237 0.89 SMYD3 (1.00) SMYD3POLBHTTSIGMAR1CCR2
SCHEMBL9849509 0.88 SMYD3 (0.77) SMYD3POLBHTTSIGMAR1MEN1
SCHEMBL9849508 0.87 SMYD3 (0.75) SMYD3POLBHTTSIGMAR1MEN1
SCHEMBL20093376 0.81 SMYD3 (0.54) SMYD3SIGMAR1CCR2KMT2AEPHX2
SCHEMBL5027276 0.80 CCR2 (1.00) CCR2
SCHEMBL5027269 0.80 CCR2 (1.00) CCR2
SCHEMBL30590228 0.79 EPHX2 (0.71) SMYD3SIGMAR1MEN1KMT2AEPHX2
SCHEMBL6867356 0.79 MEN1 (0.68) SMYD3POLBHTTSIGMAR1MEN1

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-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US claimed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US claimed

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-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885POLB 4132/4885HTT 4022/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885POLB 4325/4885HTT 4016/4885

“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.