SCHEMBL13743409

SCHEMBL13743409

O=C(Nc1ccc(N2CCOCC2)cc1)C1=C(O)C(CC2CCCCC2)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
GAA P10253 1/20 0.49
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 6/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL13743222 0.82 ALDH1A1 (0.56) ALDH1A1GAAHDAC8HDAC6MAPT
SCHEMBL13743459 0.81 DEGS1 (0.50) ALDH1A1HDAC8HDAC6MAPTNPC1
SCHEMBL13743911 0.81 SMN1; SMN2 (0.54) ALDH1A1HDAC8HDAC6MAPTNPC1
SCHEMBL4242828 0.81 DHODH (0.43) MAPTRAB9ALMNAKDM1A
SCHEMBL13743979 0.81 EPHX2 (0.44) ALDH1A1GAAMAPTMAPK1NPC1
SCHEMBL13743971 0.80 CHEK2 (0.44) KMT2A
SCHEMBL13743720 0.78 NPY5R (0.48) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL13743972 0.78 CHEK2 (0.40) L3MBTL1LMNA
SCHEMBL13743491 0.78 HTT (0.47) ALDH1A1GAAMAPTMAPK1NPC1
SCHEMBL4246135 0.77 ALDH1A1 (0.52) ALDH1A1GAAHDAC8HDAC6MAPT

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 2 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

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 632/4885HDAC8 3332/4885

“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.