SCHEMBL17820534

SCHEMBL17820534

O=C(O)NC(Cc1ccccc1)C(=O)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.44
PIK3C3 Q8NEB9 3/20 0.44
PIK3CA P42336 2/20 0.43
PRKDC P78527 2/20 0.39
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
TACR2 P21452 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PDE7A Q13946 1/20 0.35
CTSS P25774 1/20 0.35
CTSL P07711 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL17820209 0.93 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL22436249 0.93 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17827944 0.88 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820484 0.84 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820232 0.83 ATM (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17827943 0.83 ATM (0.43) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL16545927 0.83 ATM (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819666 0.83 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820619 0.83 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820416 0.82 ATM (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 ATM 3209/4885PIK3C3 3047/4885PIK3CA 4857/4885

“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.