SCHEMBL513361

SCHEMBL513361

Cn1nc(CO)cc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.41
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
DPP4 P27487 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
GRK5 P34947 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
HSD17B10 Q99714 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL27890781 0.84 SLC16A3 (0.38) FYNALDH1A1KDM4EL3MBTL1SLC16A3
SCHEMBL513700 0.84 ALDH1A1 (0.36) FYNALDH1A1KDM4EL3MBTL1SLC16A3
SCHEMBL2050232 0.83 SREBF2 (0.43) FYNALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL435263 0.77 ALDH1A1 (0.49) FYNALDH1A1KDM4EL3MBTL1GRK5
SCHEMBL14232845 0.77 NPC1 (0.41) FYNALDH1A1KDM4EL3MBTL1GRK5
SCHEMBL570365 0.74 PIM1 (0.54) ALDH1A1KDM4EL3MBTL1HPGDGAA
SCHEMBL514454 0.74 SLC16A3 (0.45) FYNALDH1A1KDM4EL3MBTL1SLC16A3
SCHEMBL1779503 0.73 PTGS2 (0.52) SLC16A3POLBMAPT
SCHEMBL892814 0.73 PIM1 (0.44) FYNALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL15638530 0.72 ALDH1A1 (0.44) FYNALDH1A1KDM4EL3MBTL1HTR2C

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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 FYN 3234/4885ALDH1A1 2610/4885KDM4E 3490/4885

“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.