SCHEMBL4246135

SCHEMBL4246135

O=C(Nc1ccc(N2CCOCC2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 8/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM1B Q8NB78 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4237397 0.93 MAPT (0.46) ALDH1A1GAAMAPK1MAPTNPC1
SCHEMBL4246914 0.81 MAPT (0.43) GAAMAPK1MAPTNPC1RAB9A
SCHEMBL4245288 0.81 DEGS1 (0.51) ALDH1A1GAAHDAC8HDAC6MAPT
SCHEMBL4246052 0.80 PORCN (0.41) KMT2A
SCHEMBL4244777 0.80 CHEK2 (0.39) ALDH1A1TP53KDM4EKMT2A
SCHEMBL4244100 0.79 RXFP1 (0.47) MAPTNPC1RAB9ATP53LMNA
SCHEMBL4246968 0.78 EPHX1 (0.48) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL4242059 0.77 ALDH1A1 (0.51) ALDH1A1GAAMAPK1HDAC8HDAC6
SCHEMBL13743409 0.77 ALDH1A1 (0.51) ALDH1A1GAAMAPK1HDAC8HDAC6
SCHEMBL4250686 0.77 KMT2A (0.44) ALDH1A1MAPK1MAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 ALDH1A1 3119/4885GAA 632/4885MAPK1 3177/4885

“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.