SCHEMBL12415871

SCHEMBL12415871

O=C(Nc1cccc([N+](=O)[O-])c1)N1CCOc2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
MAPT P10636 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
BAZ1A Q9NRL2 3/20 0.52
ATM Q13315 1/20 0.50
POLB P06746 3/20 0.47
CTDSP1 Q9GZU7 2/20 0.46
DDX3X O00571 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HTR2C P28335 1/20 0.46
SETD7 Q8WTS6 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL12415862 0.84 LCK (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12415863 0.83 TP53 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12415805 0.82 MAPT (0.52) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL12415870 0.82 NPC1 (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12415901 0.82 SHMT2 (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12415859 0.81 GPR142 (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12415860 0.80 MEN1 (0.55) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL12415873 0.80 GPR142 (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12415872 0.80 NPSR1 (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12415886 0.80 LMNA (0.48) MEN1KMT2AMAPTNPC1RAB9A

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 1 patent. 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

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 MEN1 748/4885KMT2A 2301/4885MAPT 2999/4885

“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.