SCHEMBL13598043

SCHEMBL13598043

CN(C)CCCNC(=O)c1c(O)c2ccccc2[nH]c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.73
KDM4E B2RXH2 10/20 0.67
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
PKM P14618 1/20 0.65
RXFP1 Q9HBX9 1/20 0.62
ALDH1A1 P00352 3/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
NLRP3 Q96P20 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PARP1 P09874 1/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL13598042 0.88 USP2 (0.76) USP2KDM4EMEN1KMT2ARAB9A
SCHEMBL13598037 0.85 USP2 (0.98) USP2KDM4EMEN1KMT2ARAB9A
SCHEMBL22639786 0.84 USP2 (1.00) USP2KDM4EMEN1KMT2ARAB9A
SCHEMBL13598038 0.84 USP2 (1.00) USP2KDM4EMEN1KMT2ARAB9A
SCHEMBL13598044 0.81 KDM4E (0.70) USP2KDM4EMEN1KMT2ARAB9A
SCHEMBL13598035 0.79 KMT2A (1.00) USP2KDM4EMEN1KMT2ARAB9A
SCHEMBL7591483 0.78 KDM4E (0.70) USP2KDM4EMEN1KMT2ARAB9A
SCHEMBL821620 0.77 KMT2A (0.76) USP2KDM4EMEN1KMT2ARAB9A
SCHEMBL13598032 0.77 KMT2A (1.00) USP2KDM4EMEN1KMT2ARAB9A
SCHEMBL3248405 0.77 KDM4E (0.54) USP2KDM4EMEN1KMT2AALDH1A1

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-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 USP2 1451/4885KDM4E 3718/4885MEN1 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.