SCHEMBL3984110

SCHEMBL3984110

O=C(NCC1CC1)c1c(O)c2ccccc2[nH]c1=O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
NPC1 O15118 5/20 0.70
ALDH1A1 P00352 2/20 0.70
KDM4E B2RXH2 7/20 0.68
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
RXFP1 Q9HBX9 2/20 0.67
POLB P06746 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
PKM P14618 1/20 0.62
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
USP2 O75604 1/20 0.60
ACHE P22303 1/20 0.59
NLRP3 Q96P20 1/20 0.57
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL3988851 0.81 ACHE (0.53) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL13598032 0.80 KMT2A (1.00) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL821620 0.80 KMT2A (0.76) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL13598042 0.78 USP2 (0.76) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL7591483 0.78 KDM4E (0.70) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL22639784 0.77 RAB9A (1.00) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL1622809 0.77 RAB9A (1.00) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL13598035 0.77 KMT2A (1.00) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL19124528 0.77 KMT2A (0.72) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL15200787 0.76 KMT2A (0.72) RAB9ANPC1ALDH1A1KDM4EMEN1

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 RAB9A 2428/4885NPC1 163/4885ALDH1A1 3119/4885

“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.