SCHEMBL4426378

SCHEMBL4426378

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.44
NPC1 O15118 13/20 0.44
MAPT P10636 11/20 0.44
SMN1; SMN2 Q16637 10/20 0.44
TP53 P04637 4/20 0.44
PKM P14618 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GFER P55789 2/20 0.43
MAPK1 P28482 3/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 3/20 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
SCHEMBL4102849 1.00 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4102854 1.00 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4413666 0.99 NPC1 (0.43) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL13597897 0.92 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4422917 0.91 RAB9A (0.42) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4421088 0.88 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4421091 0.88 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4421087 0.88 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL13597907 0.88 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4417379 0.87 LMNA (0.39) RAB9ANPC1TP53ALDH1A1L3MBTL1

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 2428/4885NPC1 163/4885MAPT 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.