SCHEMBL5511035

SCHEMBL5511035

COC(=O)c1c(C)nc(-c2ccccc2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 5/20 0.58
RAB9A P51151 2/20 0.58
TP53 P04637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 4/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 2/20 0.56
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
PLA2G2A P14555 1/20 0.50
PTGS1 P23219 1/20 0.49
PDE5A O76074 1/20 0.48
ABCC1 P33527 1/20 0.48

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
SCHEMBL5521948 0.87 KDM4E (0.56) SMN1; SMN2KDM4ERAB9ATP53HSD17B10
SCHEMBL27729965 0.86 KMT2A (0.54) SMN1; SMN2KDM4ERAB9ATP53HSD17B10
SCHEMBL23574669 0.85 CA12 (0.52) SMN1; SMN2KDM4ERAB9ATP53HSD17B10
SCHEMBL10073336 0.83 KDM4E (0.81) SMN1; SMN2KDM4ERAB9ATP53HSD17B10
SCHEMBL23574375 0.83 KDM4E (0.60) SMN1; SMN2KDM4ERAB9ATP53HSD17B10
SCHEMBL5166558 0.83 SMN1; SMN2 (0.75) SMN1; SMN2KDM4ERAB9ATP53KMT2A
SCHEMBL10375312 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ERAB9ATP53HSD17B10
SCHEMBL4395939 0.82 KDM4E (0.65) SMN1; SMN2KDM4ERAB9ATP53HSD17B10
SCHEMBL23574212 0.81 KDM4E (0.47) SMN1; SMN2KDM4ERAB9ATP53HSD17B10
SCHEMBL15150048 0.80 GAA (0.50) SMN1; SMN2KDM4ERAB9ATP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
EP-1644313-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2006-04-12 EP disclosed
US-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION 2005-02-03 US disclosed
WO-2005007608-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2005-01-27 WO 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-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters ACKR3, CCR5, CCRL2 SMN1; SMN2 4564/4885KDM4E 1085/4885RAB9A 1500/4885

“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.