SCHEMBL12415804

SCHEMBL12415804

O=C(O)c1cccc(NC(=O)c2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 7/20 0.43
PKM P14618 2/20 0.43
MAOB P27338 1/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43
TP53 P04637 1/20 0.42
FAAH O00519 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
HPSE Q9Y251 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL12507332 0.91 RAB9A (0.46) RAB9AKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL12416278 0.91 POLB (0.47) RAB9AKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL12416461 0.91 RAB9A (0.49) RAB9AKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL12507520 0.89 MAPT (0.50) RAB9AKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL12415811 0.88 MAPT (0.54) RAB9AKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL12507519 0.87 FGFR4 (0.44) RAB9AKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL12416286 0.86 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL12415898 0.85 FGFR4 (0.46) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL12416029 0.85 MEN1 (0.44) RAB9AKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL12415821 0.84 NPC1 (0.46) RAB9AKMT2ASMN1; SMN2MEN1MAPT

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 RAB9A 346/4885KMT2A 2301/4885SMN1; 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.