SCHEMBL12416286

SCHEMBL12416286

Cc1ccc(C(=O)O)cc1NC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
THRB P10828 1/20 0.41
FGFR4 P22455 1/20 0.41
HSF1 Q00613 2/20 0.40
PKM P14618 1/20 0.40
MAOB P27338 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
SCHEMBL12416259 0.92 MAPT (0.44) SMN1; SMN2KDM4EHDAC1HDAC8HDAC6
SCHEMBL12507332 0.87 RAB9A (0.46) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL12415804 0.86 RAB9A (0.44) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL12416386 0.85 KDR (0.40) MAPTPOLBTHRBFGFR4PKM
SCHEMBL12416278 0.84 POLB (0.47) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL12415988 0.84 DGAT1 (0.40) MAPTTHRBFGFR4HSF1TP53
SCHEMBL12507520 0.83 MAPT (0.50) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL12416290 0.83 TP53 (0.47) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL12507642 0.81 MAPT (0.51) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL12415898 0.81 FGFR4 (0.46) SMN1; SMN2MAPTNPC1RAB9ANFKB1

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 SMN1; SMN2 1931/4885KDM4E 2303/4885HDAC1 254/4885

“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.