SCHEMBL23575950

SCHEMBL23575950

NCCC(=O)NC1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.75
HTT P42858 1/20 0.75
RECQL P46063 1/20 0.75
SIGMAR1 Q99720 1/20 0.64
NPY5R Q15761 1/20 0.61
SMYD3 Q9H7B4 4/20 0.58
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.51
STAT3 P40763 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL19710020 1.00 HPGD (0.75) HPGDHTTRECQLSIGMAR1NPY5R
SCHEMBL19710653 0.89 HPGD (0.69) HPGDHTTRECQLSIGMAR1NPY5R
SCHEMBL21489920 0.89 HPGD (0.69) HPGDHTTRECQLSIGMAR1NPY5R
SCHEMBL19710071 0.84 SMYD3 (0.70) HPGDHTTRECQLSMYD3NPC1
SCHEMBL21489781 0.84 SMYD3 (0.70) HPGDHTTRECQLSMYD3NPC1
SCHEMBL7849079 0.82 HPGD (0.93) HPGDHTTRECQLSIGMAR1BCHE
SCHEMBL21490060 0.81 SMYD3 (0.53) HPGDHTTRECQLSIGMAR1SMYD3
SCHEMBL19710398 0.81 SMYD3 (0.53) HPGDHTTRECQLSIGMAR1SMYD3
SCHEMBL14261162 0.81 HPGD (0.61) HPGDHTTRECQLSIGMAR1NPY5R
SCHEMBL7851490 0.80 HTT (0.88) HPGDHTTRECQLBCHEACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 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 (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-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 HPGD 3818/4885HTT 4022/4885RECQL 1717/4885

“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.