SCHEMBL3169656

SCHEMBL3169656

O=C(O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.60
POLB P06746 3/20 0.60
TP53 P04637 3/20 0.60
MAPT P10636 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CHEK2 O96017 5/20 0.57
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
NR4A2 P43354 1/20 0.55
F2 P00734 3/20 0.55
F10 P00742 3/20 0.55
PLG P00747 3/20 0.55
PLAU P00749 3/20 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
SCHEMBL22955686 0.90 RAB9A (0.53) TDP1POLBTP53MAPTL3MBTL1
SCHEMBL18229527 0.86 HDAC6 (0.73) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL22955685 0.85 HDAC6 (0.54) L3MBTL1NPC1RAB9AHDAC6HDAC3
SCHEMBL29576886 0.83 MAPT (0.63) TDP1POLBTP53MAPTL3MBTL1
SCHEMBL3162699 0.83 NR4A2 (0.64) TDP1POLBTP53MAPTL3MBTL1
SCHEMBL3172795 0.83 CHEK2 (0.65) TDP1POLBTP53MAPTL3MBTL1
SCHEMBL3171782 0.83 RAB9A (0.65) TDP1POLBTP53MAPTL3MBTL1
SCHEMBL28388727 0.83 MAPT (0.63) TDP1POLBTP53MAPTL3MBTL1
SCHEMBL31695045 0.82 CHEK2 (0.55) TDP1POLBTP53MAPTL3MBTL1
SCHEMBL3178817 0.82 PDE4A (0.60) TDP1POLBTP53MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 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 TDP1 3086/4885POLB 2368/4885TP53 4699/4885

“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.