SCHEMBL180541

SCHEMBL180541

O=C(O)CCc1ccc(-c2ccc(-c3csc(Nc4cccc(F)c4)n3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.60
CYP1A1 P04798 7/20 0.60
CYP1B1 Q16678 7/20 0.60
NPY5R Q15761 1/20 0.54
PIK3CG P48736 1/20 0.52
ALOX5 P09917 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
CFTR P13569 1/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL181014 0.89 CYP1A1 (0.62) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL12298090 0.83 CYP1A1 (0.83) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL23742626 0.81 CYP1A1 (0.88) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL13193324 0.79 MEN1 (0.57) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL13193313 0.79 ALOX5 (0.64) CYP1A2CYP1A1CYP1B1ALOX5MEN1
SCHEMBL13664062 0.78 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL23742672 0.78 CSNK2A1 (0.70) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL13193326 0.78 AGER (0.57) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL181004 0.77 CYP1A1 (0.70) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL1881369 0.77 CYP1A1 (0.88) CYP1A2CYP1A1CYP1B1NPY5RALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP claimed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP claimed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP claimed
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8835451-B2 Compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
EP-2418202-B1 (4-[4-[5-(substituted amino)-pyridin-2-yl]phenyl]-cyclohexyl)-acetic acid derivatives as DGAT inhibitors NOVARTIS AG (CH) 2014-01-29 EP disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 EP disclosed
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP disclosed
EP-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP disclosed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 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
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 (4 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-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 CYP1A2 1814/4885CYP1A1 1824/4885CYP1B1 1238/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 CYP1A2 1814/4885CYP1A1 1824/4885CYP1B1 1238/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA CYP1A2 2923/4885CYP1A1 4359/4885CYP1B1 4371/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 CYP1A2 1773/4885CYP1A1 1780/4885CYP1B1 1264/4885

“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.