SCHEMBL3986475

SCHEMBL3986475

O=C(c1c(O)c2ccccc2[nH]c1=O)N1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
PARP1 P09874 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNH2 Q12809 1/20 0.47
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CHRM3 P20309 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.46
CYP3A4 P08684 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL4417699 0.91 KDM4E (0.58) KDM4EMAPTLMNAALDH1A1HSD17B10
SCHEMBL13598000 0.83 KDM4E (0.88) KDM4EMAPTLMNAPARP1ALDH1A1
SCHEMBL13598002 0.71 KDM4E (0.58) KDM4EMAPTLMNAALDH1A1TP53
SCHEMBL17899115 0.70 KDM4E (0.80) KDM4EMAPTLMNAALDH1A1HSD17B10
SCHEMBL21077881 0.70 TSHR (0.71) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL4415581 0.70 MGLL (0.58) ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4417641 0.69 PARP1 (0.53) KDM4EMAPTPARP1ALDH1A1POLB
SCHEMBL3986640 0.69 JAK2 (0.50) PARP1HPGD
SCHEMBL3985154 0.68 KDM4E (0.74) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL5545647 0.68 HTR7 (0.55) KDM4EMAPTLMNAPARP1ALDH1A1

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 6 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
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO 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 3718/4885MAPT 1345/4885LMNA 2709/4885

“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.