SCHEMBL4421087

SCHEMBL4421087

O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)[C@H]2CCC[C@H]2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.47
MAPT P10636 13/20 0.47
NPC1 O15118 12/20 0.47
SMN1; SMN2 Q16637 11/20 0.47
TP53 P04637 3/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 7/20 0.46
GFER P55789 4/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 3/20 0.46
ALOX15 P16050 1/20 0.46
CYP1A2 P05177 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
SCHEMBL4421091 1.00 RAB9A (0.47) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL4421088 1.00 RAB9A (0.47) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL13597907 0.98 RAB9A (0.47) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL4102854 0.88 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL13597897 0.88 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL4426378 0.88 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL4102849 0.88 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL13598147 0.87 GFER (0.44) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL13598142 0.87 GFER (0.44) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL13598188 0.87 GFER (0.44) RAB9AMAPTNPC1SMN1; SMN2TP53

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
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 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 (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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 RAB9A 2428/4885MAPT 1345/4885NPC1 163/4885

“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.