SCHEMBL12416290

SCHEMBL12416290

O=C(Nc1ccccc1C(=O)O)c1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 6/20 0.42
THRB P10828 4/20 0.42
LMNA P02545 2/20 0.42
FGFR4 P22455 1/20 0.40
HCAR2 Q8TDS4 3/20 0.40
RXFP1 Q9HBX9 2/20 0.39
POLB P06746 2/20 0.39
GPR142 Q7Z601 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL12416268 0.91 MAPT (0.49) TP53MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL12416278 0.90 POLB (0.47) TP53MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL12415898 0.86 FGFR4 (0.46) TP53RAB9ASMN1; SMN2NPC1CYP2C9
SCHEMBL12507332 0.86 RAB9A (0.46) TP53MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL12416027 0.85 FGFR4 (0.45) ALDH1A1HPGDMAPTLMNAFGFR4
SCHEMBL12415804 0.83 RAB9A (0.44) TP53MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL12416286 0.83 SMN1; SMN2 (0.43) TP53RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL12416002 0.82 MAPT (0.44) TP53MEN1RAB9AKMT2AMAPT
SCHEMBL12507520 0.82 MAPT (0.50) TP53MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL12415953 0.82 FGFR4 (0.47) TP53SMN1; SMN2ALDH1A1CYP2C9MAPT

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 TP53 423/4885MEN1 748/4885RAB9A 346/4885

“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.