SCHEMBL4244834

SCHEMBL4244834

O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.51
RAB9A P51151 14/20 0.51
MAPT P10636 13/20 0.51
SMN1; SMN2 Q16637 11/20 0.51
TP53 P04637 4/20 0.51
PKM P14618 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 2/20 0.49
NR4A1 P22736 1/20 0.49
MAPK1 P28482 4/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GFER P55789 2/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL4244237 0.91 SMN1; SMN2 (0.52) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL13744285 0.86 BUB1 (0.40) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL4245920 0.85 MEN1 (0.43) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL4238703 0.84 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13743346 0.84 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL4238314 0.84 NPC1 (0.55) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL4242180 0.83 MAPT (0.46) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL4245974 0.83 DEGS1 (0.46) ALDH1A1KLF5
SCHEMBL4243214 0.83 KMT2A (0.45) MAPTTP53KDM4EMAPK1KMT2A
SCHEMBL4240480 0.82 PORCN (0.44) RAB9AMAPTSMN1; SMN2ALDH1A1L3MBTL1

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 NPC1 163/4885RAB9A 2428/4885MAPT 1345/4885

“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.