SCHEMBL3172174

SCHEMBL3172174

Cc1cc(O)cc(C)c1-c1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.75
HDAC7 Q8WUI4 1/20 0.75
HDAC6 Q9UBN7 1/20 0.75
HDAC9 Q9UKV0 1/20 0.75
HSP90AA1 P07900 1/20 0.61
ESR2 Q92731 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NR4A2 P43354 1/20 0.56
CHEK2 O96017 5/20 0.55
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
DGAT1 O75907 5/20 0.52
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50

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
SCHEMBL1251774 0.88 DGAT1 (0.65) HDAC3HDAC7HDAC6HDAC9HSP90AA1
SCHEMBL18229629 0.86 HDAC6 (1.00) HDAC3HDAC7HDAC6HDAC9DGAT1
SCHEMBL1252016 0.86 HDAC3 (0.74) HDAC3HDAC7HDAC6HDAC9CHEK2
SCHEMBL3167982 0.86 DGAT1 (0.68) HDAC3HDAC7HDAC6HDAC9HSP90AA1
SCHEMBL3162874 0.85 HDAC3 (0.56) HDAC3HDAC7HDAC6HDAC9HSP90AA1
SCHEMBL3178974 0.84 DGAT1 (0.58) HDAC3HDAC7HDAC6HDAC9HSP90AA1
SCHEMBL3182465 0.81 HDAC3 (0.52) HDAC3HDAC7HDAC6HDAC9HSP90AA1
SCHEMBL27786026 0.80 HSP90AA1 (0.53) HDAC3HDAC7HDAC6HDAC9HSP90AA1
SCHEMBL3162726 0.80 DGAT1 (0.61) HDAC3HDAC7HDAC6HDAC9HSP90AA1
SCHEMBL1250492 0.80 DGAT1 (0.82) HDAC3HDAC7HDAC6HDAC9NPC1

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
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US 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
CN-101600437-A method for preventing or treating myocardial ischemia NOVARTIS AG (CH) 2009-12-09 CN 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
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 HDAC3 176/4885HDAC7 666/4885HDAC6 303/4885

“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.