SCHEMBL4036348

SCHEMBL4036348

O=C(O)Cc1coc2ccccc2c1=NO

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MAOB P27338 2/20 0.47
ALOX15 P16050 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
PSMB8 P28062 2/20 0.41
PSMB5 P28074 2/20 0.41
TP53 P04637 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL4036347 1.00 KDM4E (0.54) KDM4EMAOBALOX15MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL6385399 0.85 KDM4E (0.60) KDM4EMAOBALOX15MAPTSMN1; SMN2
SCHEMBL1027115 0.84 KDM4E (0.62) KDM4EMAOBALOX15MAPTSMN1; SMN2
SCHEMBL10339724 0.78 KDM4E (0.56) KDM4EMAOBALOX15MAPTSMN1; SMN2
SCHEMBL11500783 0.74 KDM4E (0.51) KDM4EMAOBALOX15MAPTSMN1; SMN2
SCHEMBL5762073 0.71 MAOB (0.53) KDM4EMAOBPSMB8PSMB5
SCHEMBL31369827 0.71 CA2 (0.54) KDM4EMAOBPSMB8PSMB5TP53
SCHEMBL28205795 0.71 ALOX15 (0.50) KDM4EMAOBALOX15MAPTSMN1; SMN2
SCHEMBL21836463 0.70 MAOB (0.51) KDM4EMAOBALOX15MAPTSMN1; SMN2
SCHEMBL18331257 0.69 MAOB (0.54) KDM4EMAOBALOX15MAPTSMN1; SMN2

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-1615906-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-01-18 EP claimed
WO-2004092154-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 WO claimed
US-20040198750-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-07 US claimed
US-7547794-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-16 US disclosed
EP-1615906-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-01-18 EP disclosed
WO-2004092154-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 WO disclosed
US-20040198750-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-07 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-20040198750-A1 Compositions useful as inhibitors of protein kinases MAP3K20, MAP3K6, PACSIN2 KDM4E 2358/4885MAOB 3049/4885ALOX15 3439/4885

“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.