SCHEMBL4417699

SCHEMBL4417699

O=C(c1c(O)c2ccccc2[nH]c1=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 3/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NLRP3 Q96P20 1/20 0.49
IDE P14735 1/20 0.49
MPI P34949 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL3986475 0.91 KDM4E (0.66) KDM4EMEN1KMT2ANPC1POLB
SCHEMBL13598000 0.77 KDM4E (0.88) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL3986640 0.77 JAK2 (0.50)
SCHEMBL13598002 0.77 KDM4E (0.58) KDM4EMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4415581 0.75 MGLL (0.58) MEN1KMT2AALDH1A1
SCHEMBL28837057 0.74 HTT (0.53) KDM4EMEN1KMT2ASMN1; SMN2POLB
SCHEMBL3985154 0.74 KDM4E (0.74) KDM4EMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL5308272 0.72 TSHR (0.51) KDM4EKMT2ASMN1; SMN2POLBMAPT
SCHEMBL2284247 0.72 KDM4E (0.69) KDM4EMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL1228041 0.72 KDM4E (0.62) KDM4EMEN1KMT2ANPC1SMN1; SMN2

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 KDM4E 3718/4885MEN1 2345/4885KMT2A 4780/4885

“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.