SCHEMBL4774233

SCHEMBL4774233

CCN1CCN(c2nc(-c3ccc(OCCOC(C)=O)c(Cl)c3)cc3ccsc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.38
KMO O15229 2/20 0.37
JAK2 O60674 3/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
THRB P10828 1/20 0.34
KCNA5 P22460 1/20 0.34
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
ACHE P22303 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDE5A O76074 1/20 0.32
KCNH2 Q12809 1/20 0.32
F10 P00742 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
SCHEMBL4763776 0.90 MALT1 (0.38) MALT1KMOJAK2ALDH1A1KMT2A
SCHEMBL4766680 0.82 ACHE (0.35) MALT1ALDH1A1POLBLMNAUSP2
SCHEMBL6289252 0.80 RXFP1 (0.33) LMNAUSP2TP53KMT2ARXFP1
SCHEMBL4769957 0.78 SYK (0.35) POLBKMT2ARXFP1
Oxalic Acid SCHEMBL6289166 0.78 SYK (0.35) ALDH1A1POLBTHRBKMT2ARXFP1
SCHEMBL4768384 0.77 PDE5A (0.42) RXFP1PDE5AKCNH2
SCHEMBL4764086 0.77 RXFP1 (0.35) ALDH1A1LMNAUSP2TP53GAA
SCHEMBL4764095 0.77 RXFP1 (0.35) ALDH1A1LMNAUSP2TP53GAA
SCHEMBL4766955 0.76 PDE5A (0.44) RXFP1PDE5AKCNH2
SCHEMBL4770508 0.76 RXFP1 (0.40) POLBKMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MALT1 3280/4885KMO 1041/4885JAK2 1600/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MALT1 1536/4885KMO 634/4885JAK2 1730/4885

“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.