SCHEMBL13633377

SCHEMBL13633377

CC(Cl)c1ccc(F)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP3A5 P20815 2/20 0.45
CPS1 P31327 1/20 0.43
PARP1 P09874 2/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MGLL Q99685 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 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
SCHEMBL3924842 1.00 MEN1 (0.55) MEN1KMT2APOLBMAPTNPC1
SCHEMBL3915914 0.97 POLB (0.49) MEN1KMT2APOLBMAPTNPC1
SCHEMBL13633373 0.97 POLB (0.49) MEN1KMT2APOLBMAPTNPC1
SCHEMBL3916319 0.90 MEN1 (0.53) MEN1KMT2APOLBMAPTNPC1
SCHEMBL13633366 0.90 MEN1 (0.53) MEN1KMT2APOLBMAPTNPC1
SCHEMBL13777027 0.88 MEN1 (0.51) MEN1KMT2APOLBMAPTNPC1
SCHEMBL3934287 0.86 POLB (0.47) MEN1KMT2APOLBMAPTNPC1
SCHEMBL13633365 0.86 POLB (0.47) MEN1KMT2APOLBMAPTNPC1
SCHEMBL13777022 0.84 SLC6A9 (0.46) MEN1KMT2APOLBMAPTNPC1
SCHEMBL14346812 0.84 POLB (0.46) MEN1KMT2APOLBMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281086-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-11-12 US disclosed
US-20090281086-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-11-12 US disclosed
US-20090181951-A1 PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-16 US disclosed
US-20090181951-A1 PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-16 US disclosed
WO-2007144637-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-12-21 WO disclosed
WO-2007144652-A2 PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-12-21 WO 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-20090281086-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS PARP2, PARP3, PARP11 MEN1 1711/4885KMT2A 973/4885POLB 66/4885
US-20090181951-A1 PARP INHIBITORS PARP2, PARP3, PARP1 MEN1 808/4885KMT2A 2114/4885POLB 124/4885

“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.