SCHEMBL5058550

SCHEMBL5058550

O=C(NO)c1ccc(N2CCOCC2)cc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.69
PIK3CD O00329 2/20 0.63
PIK3CA P42336 2/20 0.63
PIK3CB P42338 2/20 0.63
PIK3CG P48736 2/20 0.63
HDAC6 Q9UBN7 3/20 0.55
HDAC8 Q9BY41 1/20 0.55
MAPT P10636 2/20 0.52
PKM P14618 1/20 0.52
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
KMO O15229 1/20 0.46
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL5058382 0.87 PRKDC (0.72) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058586 0.83 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058525 0.83 PRKDC (0.75) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5054845 0.82 PRKDC (0.61) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5059683 0.82 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29776854 0.82 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL600210 0.82 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4992024 0.82 PRKDC (0.73) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5054826 0.81 PRKDC (0.72) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7090207 0.81 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 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 (2 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PRKDC 17/4885PIK3CD 829/4885PIK3CA 454/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PRKDC 17/4885PIK3CD 829/4885PIK3CA 454/4885

“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.