SCHEMBL3176091

SCHEMBL3176091

O=C(O)c1ccc2nc(-c3c(F)cccc3C(F)(F)F)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NR4A2 P43354 1/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ CHEK2 O96017 7/20 0.50
▸ TDP1 Q9NUW8 3/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL3162730 0.89 NR4A2 (0.65) SMN1; SMN2NR4A2HDAC6CHEK2TDP1
SCHEMBL1252197 0.87 SMN1; SMN2 (0.55) SMN1; SMN2NR4A2HDAC6HDAC3HDAC7
SCHEMBL3177289 0.83 NR4A2 (0.58) SMN1; SMN2NR4A2CHEK2TDP1HSP90AA1
SCHEMBL3171348 0.82 HDAC3 (0.77) SMN1; SMN2NR4A2HDAC6HDAC3HDAC7
SCHEMBL1250997 0.81 DGAT1 (0.58) HDAC6HDAC3HDAC7HDAC10CHEK2
SCHEMBL3169492 0.81 NR4A2 (0.58) NR4A2HDAC6CHEK2TDP1HSP90AA1
SCHEMBL1250952 0.78 DGAT1 (0.54) SMN1; SMN2HDAC6HDAC3HDAC7HDAC10
SCHEMBL3162699 0.78 NR4A2 (0.64) SMN1; SMN2NR4A2HDAC6HDAC3HDAC7
SCHEMBL1251774 0.76 DGAT1 (0.65) SMN1; SMN2NR4A2HDAC6HDAC3HDAC7
SCHEMBL1248424 0.76 DGAT1 (0.67) SMN1; SMN2NR4A2CHEK2TDP1HSP90AA1

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 SMN1; SMN2 3099/4885NR4A2 2362/4885HDAC6 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.

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