SCHEMBL20154363

SCHEMBL20154363

Cc1[nH]c(N2CCCC2)cc(=O)c1CNC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ KIT P10721 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ DAO P14920 2/20 0.35
▸ ERCC1 P07992 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ EZH2 Q15910 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGES O14684 1/20 0.32
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL17298000 0.86 KIT (0.39) KITALDH1A1MAPTNPSR1KDM4E
SCHEMBL19477761 0.85 KIT (0.38) TSHRKITALDH1A1KDM4ELMNA
SCHEMBL17297843 0.83 KIT (0.37) TSHRKITALDH1A1MAPTKDM4E
SCHEMBL19193375 0.79 TSHR (0.45) TSHRALDH1A1MAPTKDM4EERCC1
SCHEMBL19193512 0.77 TSHR (0.43) TSHRKDM4ELMNAERCC1ERCC4
SCHEMBL17297988 0.76 GAA (0.42) TSHRLMNAHSD17B10EZH2
SCHEMBL19477768 0.75 GAA (0.41) TSHRALDH1A1HSD17B10EZH2
SCHEMBL19193377 0.74 KDM4E (0.44) TSHRALDH1A1MAPTKDM4EERCC1
SCHEMBL17297847 0.73 GAA (0.40) TSHRALDH1A1KDM4EEZH2L3MBTL1
SCHEMBL17297814 0.69 TSHR (0.43) TSHRALDH1A1MAPTKDM4EERCC1

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-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-05-17 — — 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-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS CYP4B1, PDXK, CYP1B1 TSHR 4450/4885KIT 2443/4885ALDH1A1 419/4885

“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.

Send feedback