SCHEMBL21490141

SCHEMBL21490141

NC1CCC(NC(=O)Cc2cc(F)cc(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.56
SELL P14151 1/20 0.48
SELP P16109 1/20 0.48
SELE P16581 1/20 0.48
LMNA P02545 2/20 0.47
SMYD3 Q9H7B4 6/20 0.46
CCR2 P41597 1/20 0.43
EPHX2 P34913 1/20 0.43
CCR3 P51677 1/20 0.43

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
SCHEMBL19701362 1.00 SIGMAR1 (0.56) SIGMAR1SELLSELPSELELMNA
SCHEMBL30590284 0.90 LMNA (0.52) SIGMAR1SELLSELPSELELMNA
SCHEMBL23575873 0.85 SMYD3 (0.61) SIGMAR1SELLSELPSELESMYD3
SCHEMBL19710224 0.85 SMYD3 (0.61) SIGMAR1SELLSELPSELESMYD3
SCHEMBL21489943 0.84 LMNA (0.59) SIGMAR1LMNAEPHX2CCR3
SCHEMBL19701309 0.84 LMNA (0.59) SIGMAR1LMNAEPHX2CCR3
SCHEMBL30590257 0.82 LMNA (0.47) SIGMAR1SELLSELPSELELMNA
Hydrochloric Acid SCHEMBL30590247 0.81 LMNA (0.46) SIGMAR1SELLSELPSELELMNA
Hydrochloric Acid SCHEMBL30590301 0.81 LMNA (0.46) SIGMAR1SELLSELPSELELMNA
Hydrochloric Acid SCHEMBL30590262 0.81 LMNA (0.46) SIGMAR1SELLSELPSELELMNA

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 SIGMAR1 1193/4885SELL 4438/4885SELP 3812/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SIGMAR1 546/4885SELL 4564/4885SELP 3955/4885

“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.