SCHEMBL12415993

SCHEMBL12415993

O=C(O)c1ccc(C(=O)Nc2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
PKM P14618 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
FGFR4 P22455 2/20 0.46
NFKB1 P19838 1/20 0.46
MAOB P27338 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NAMPT P43490 1/20 0.42
DGAT1 O75907 1/20 0.42
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HCAR3 P49019 1/20 0.40
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
GPR142 Q7Z601 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
SCHEMBL12415821 0.91 NPC1 (0.46) NPC1RAB9APKMSMN1; SMN2FGFR4
SCHEMBL12415992 0.90 MAPT (0.51) NPC1RAB9APKMSMN1; SMN2FGFR4
SCHEMBL12416028 0.90 MAPT (0.47) NPC1RAB9APKMSMN1; SMN2FGFR4
SCHEMBL12507332 0.85 RAB9A (0.46) NPC1RAB9APKMSMN1; SMN2FGFR4
SCHEMBL12416200 0.85 FGFR4 (0.50) NPC1RAB9APKMSMN1; SMN2FGFR4
SCHEMBL12416142 0.85 FGFR4 (0.51) FGFR4MAPTDGAT1LMNARXFP1
SCHEMBL12415797 0.85 FGFR4 (0.50) NPC1RAB9APKMSMN1; SMN2FGFR4
SCHEMBL12415914 0.84 DGAT1 (0.48) NPC1RAB9APKMSMN1; SMN2FGFR4
SCHEMBL12416029 0.84 MEN1 (0.44) NPC1RAB9APKMSMN1; SMN2FGFR4
SCHEMBL12507328 0.84 FGFR4 (0.47) NPC1RAB9APKMSMN1; SMN2FGFR4

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 NPC1 1033/4885RAB9A 346/4885PKM 1612/4885

“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.