SCHEMBL5239643

SCHEMBL5239643

CCCCOc1c(CNC(=O)O)n(CC(C)(C)C)c(=O)c2ccc(NC(C)=O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
DPP4 P27487 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 1/20 0.37
NPY5R Q15761 1/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
RGS12 O14924 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL5236636 0.88 DPP4 (0.54) NPC1DPP4SMN1; SMN2LMNARAB9A
SCHEMBL5239309 0.88 DPP4 (0.48) NPC1DPP4SMN1; SMN2LMNARAB9A
SCHEMBL5275959 0.88 RORA (0.37) DPP4SMN1; SMN2GAATSHRHSD17B10
SCHEMBL5231048 0.88 TSHR (0.36) DPP4SMN1; SMN2RAB9AGAAHPGD
Hydrochloric Acid SCHEMBL6108944 0.87 DPP4 (0.48) NPC1DPP4SMN1; SMN2LMNARAB9A
SCHEMBL5237350 0.87 RORA (0.37) NPC1DPP4LMNARAB9AGAA
SCHEMBL5230679 0.87 DPP4 (0.36) DPP4LMNAGAAHPGDTSHR
SCHEMBL5239523 0.86 RORA (0.42)
SCHEMBL5238703 0.86 LMNA (0.39) DPP4SMN1; SMN2LMNAALDH1A1ATM
SCHEMBL5232805 0.86 PTGDR2 (0.38) DPP4HPGDTSHRHSD17B10TDP1

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP 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 NPC1 2372/4885DPP4 2/4885SMN1; SMN2 4002/4885

“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.