SCHEMBL21490175

SCHEMBL21490175

NCCC(=O)NC1CCC(NC(=O)Cc2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 6/20 0.61
SIGMAR1 Q99720 6/20 0.59
LMNA P02545 2/20 0.56
EPHX2 P34913 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL19710155 1.00 SMYD3 (0.61) SMYD3SIGMAR1LMNAEPHX2MEN1
SCHEMBL5357866 0.89 LMNA (0.69) SIGMAR1LMNAEPHX2MEN1ALDH1A1
SCHEMBL19710224 0.85 SMYD3 (0.61) SMYD3SIGMAR1
SCHEMBL23575873 0.85 SMYD3 (0.61) SMYD3SIGMAR1
SCHEMBL21489943 0.85 LMNA (0.59) SIGMAR1LMNAEPHX2MEN1ALDH1A1
SCHEMBL19701309 0.85 LMNA (0.59) SIGMAR1LMNAEPHX2MEN1ALDH1A1
SCHEMBL4661471 0.81 LMNA (0.56) SIGMAR1LMNAEPHX2ALDH1A1NPC1
SCHEMBL3638096 0.79 SIGMAR1 (0.58) SIGMAR1LMNAEPHX2MEN1ALDH1A1
SCHEMBL6874316 0.79
Hydrochloric Acid SCHEMBL5114877 0.77 SMYD3 (0.57) SMYD3

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 1/4885SIGMAR1 1193/4885LMNA 4418/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885SIGMAR1 546/4885LMNA 4699/4885

“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.