SCHEMBL4244237

SCHEMBL4244237

O=C(Nc1ccc(N2CCOCC2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 9/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 2/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
PDE7A Q13946 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 4/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX1 P07099 1/20 0.44
HCRTR1 O43613 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KIF11 P52732 1/20 0.44
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL4244834 0.91 NPC1 (0.51) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL13744285 0.85 BUB1 (0.40) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL4245920 0.85 MEN1 (0.43) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL13743911 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL4238703 0.84 NPC1 (0.41) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL4242059 0.83 ALDH1A1 (0.51) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL4240480 0.81 PORCN (0.44) SMN1; SMN2MAPTRAB9AALDH1A1L3MBTL1
SCHEMBL4249844 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL4245955 0.80 PORCN (0.43) SMN1; SMN2MAPTRAB9AALDH1A1L3MBTL1
SCHEMBL4243214 0.80 KMT2A (0.45) MAPTMEN1KMT2ATP53KDM4E

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 SMN1; SMN2 4143/4885MAPT 1345/4885MEN1 2345/4885

“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.