SCHEMBL5956481

SCHEMBL5956481

COc1cc2c(cc1C(=O)Nc1ccncc1)SCCC2NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4D Q6B0I6 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5956775 1.00 KCNMA1 (0.44) KCNMA1MAPK1SMN1; SMN2JAK2L3MBTL1
SCHEMBL5956665 0.89 NAMPT (0.39) KCNMA1SMN1; SMN2JAK2NPSR1LMNA
SCHEMBL5956614 0.89 NAMPT (0.39) KCNMA1SMN1; SMN2JAK2NPSR1LMNA
SCHEMBL5956582 0.88 JAK2 (0.43) KCNMA1MAPK1SMN1; SMN2JAK2MEN1
SCHEMBL5956578 0.88 JAK2 (0.43) KCNMA1MAPK1SMN1; SMN2JAK2MEN1
SCHEMBL5956678 0.83 NAMPT (0.43) L3MBTL1ALDH1A1HTTKDM4ELMNA
SCHEMBL5956667 0.83 NAMPT (0.43) L3MBTL1ALDH1A1HTTKDM4ELMNA
SCHEMBL5956588 0.82 KMT2A (0.36) ALDH1A1NPSR1PDE4BKDM4EMEN1
SCHEMBL5956511 0.82 KMT2A (0.40) PDE4BKDM4EMEN1KMT2A
SCHEMBL5956853 0.82 KMT2A (0.40) PDE4BKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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 (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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 KCNMA1 3230/4885MAPK1 128/4885SMN1; SMN2 3300/4885

“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.