SCHEMBL5239030

SCHEMBL5239030

CCCCOc1c(N(C)C(=O)O)n(CC(C)(C)C)c(=O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.39
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PGR P06401 2/20 0.36
RORA P35398 2/20 0.36
RORC P51449 2/20 0.36
RORB Q92753 2/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
PKM P14618 1/20 0.35
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35

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
SCHEMBL6702509 0.90 L3MBTL1 (0.36) L3MBTL1GAAKDM4EALDH1A1LMNA
SCHEMBL5234822 0.89 ALDH1A1 (0.40) GAAKDM4EALDH1A1
SCHEMBL5231052 0.89 PSEN1 (0.35) L3MBTL1GAAPGRRORARORC
SCHEMBL5233709 0.89 PSEN1 (0.35) L3MBTL1GAAPGRALDH1A1PSEN1
SCHEMBL5233891 0.88 RORA (0.37) L3MBTL1GAARORARORCRORB
SCHEMBL5238760 0.88 ALDH1A1 (0.37) L3MBTL1GAARORARORCRORB
SCHEMBL5238819 0.88 MEN1 (0.35) L3MBTL1TDP1GAAPTGER4KDM4E
SCHEMBL5275963 0.88 RORA (0.37) L3MBTL1TDP1GAAPTGER4KDM4E
SCHEMBL5231641 0.87 HTT (0.36) L3MBTL1GAAKDM4EALDH1A1LMNA
SCHEMBL5232809 0.87 PTGDR2 (0.36) PTGER4KDM4EPGRRORARORC

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 L3MBTL1 1135/4885TDP1 2695/4885GAA 310/4885

“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.