SCHEMBL12415901

SCHEMBL12415901

O=C(O)c1cccc(NC(=O)N2CCOc3cccnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.45
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
FAAH O00519 1/20 0.43
LCK P06239 1/20 0.42
MET P08581 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
GPR142 Q7Z601 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL12415870 0.91 NPC1 (0.53) SHMT2TP53SMN1; SMN2GAANPC1
SCHEMBL12415886 0.89 LMNA (0.48) SHMT2TP53SMN1; SMN2GAANPC1
SCHEMBL12415900 0.88 MAPT (0.48) SHMT2TP53LCKMETKDR
SCHEMBL12415805 0.87 MAPT (0.52) SHMT2GAALCKMETKDR
SCHEMBL12415862 0.87 LCK (0.53) SHMT2TP53SMN1; SMN2GAANPC1
SCHEMBL12415863 0.86 TP53 (0.62) SHMT2TP53SMN1; SMN2GAANPC1
SCHEMBL12415859 0.84 GPR142 (0.57) TP53SMN1; SMN2NPC1RAB9ALCK
SCHEMBL12415873 0.83 GPR142 (0.54) SHMT2TP53SMN1; SMN2GAANPC1
SCHEMBL12415860 0.83 MEN1 (0.55) TP53GAALMNAMAPTGPR142
SCHEMBL12415872 0.82 NPSR1 (0.53) SHMT2TP53SMN1; SMN2GAANPC1

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
US-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R3, AKT3, AKT2 SHMT2 2193/4885TP53 423/4885SMN1; SMN2 1931/4885

“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.