SCHEMBL3168707

SCHEMBL3168707

COc1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.62
PDE4A P27815 4/20 0.61
PDE4B Q07343 4/20 0.61
PDE4C Q08493 4/20 0.61
PDE4D Q08499 4/20 0.61
CHEK2 O96017 4/20 0.59
F2 P00734 1/20 0.58
F10 P00742 1/20 0.58
PLG P00747 1/20 0.58
PLAU P00749 1/20 0.58
PLAT P00750 1/20 0.58
PRSS1 P07477 1/20 0.58
PDE5A O76074 2/20 0.56
NR4A2 P43354 1/20 0.56
TDP1 Q9NUW8 3/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 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
SCHEMBL20982494 0.88 CHEK2 (0.62) HDAC6PDE4APDE4BPDE4CPDE4D
SCHEMBL3178817 0.87 PDE4A (0.60) HDAC6PDE4APDE4BPDE4CPDE4D
SCHEMBL18237055 0.87 HDAC6 (0.82) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3171524 0.86 CHEK2 (0.60) HDAC6PDE4APDE4BPDE4CPDE4D
SCHEMBL11382413 0.85 GUSB (0.59) HDAC6PDE4APDE4BPDE4CPDE4D
SCHEMBL11374823 0.84 L3MBTL1 (0.49) HDAC6PDE4APDE4BPDE4CPDE4D
SCHEMBL10172745 0.83 PDE4A (0.50) HDAC6PDE4APDE4BPDE4CPDE4D
SCHEMBL3171782 0.83 RAB9A (0.65) HDAC6CHEK2F2F10PLG
SCHEMBL11020734 0.82 CHEK2 (0.54) HDAC6PDE4APDE4BPDE4CPDE4D
SCHEMBL3169492 0.81 NR4A2 (0.58) HDAC6PDE4APDE4BPDE4CPDE4D

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 WO disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 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-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA HDAC6 303/4885PDE4A 874/4885PDE4B 785/4885

“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.