SCHEMBL5239586

SCHEMBL5239586

CCCCOc1c(CN2C(=O)c3ccccc3C2=O)n(CCC)c(=O)c2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
DPP4 P27487 5/20 0.48
TSHR P16473 1/20 0.42
PTK2B Q14289 1/20 0.42
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
PDE10A Q9Y233 1/20 0.38
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
NR1H2 P55055 1/20 0.37
RORB Q92753 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL5233021 0.85 DPP4 (0.44) SMN1; SMN2NPSR1DPP4TDP1MAPT
SCHEMBL5237977 0.83 TSHR (0.41) SMN1; SMN2NPSR1TSHRPTK2BKMT2A
SCHEMBL5237189 0.83 DPP4 (0.50) SMN1; SMN2NPSR1DPP4TSHRTDP1
SCHEMBL5233023 0.82 DPP4 (0.49) SMN1; SMN2NPSR1DPP4TSHRTDP1
SCHEMBL5276978 0.82 TSHR (0.40) SMN1; SMN2NPSR1TSHRPTK2BMAPT
Hydrochloric Acid SCHEMBL5240215 0.81 DPP4 (0.59) SMN1; SMN2NPSR1DPP4TSHRTDP1
SCHEMBL5237718 0.81 TSHR (0.42) SMN1; SMN2NPSR1TSHRPTK2BTDP1
SCHEMBL5237304 0.81 TSHR (0.43) NPSR1TSHRPTK2BKMT2AGABRA1
SCHEMBL5234899 0.80 NPSR1 (0.45) SMN1; SMN2NPSR1DPP4TSHRPTK2B
SCHEMBL5266554 0.79 TSHR (0.40) SMN1; SMN2NPSR1TSHRPTK2BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 SMN1; SMN2 4002/4885NPSR1 2290/4885DPP4 2/4885

“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.