SCHEMBL181004

SCHEMBL181004

Fc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 0.70
CYP1A2 P05177 10/20 0.70
CYP1B1 Q16678 10/20 0.70
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.64
ALDH1A1 P00352 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
NPY5R Q15761 1/20 0.63
CFTR P13569 1/20 0.61
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
ALOX5 P09917 3/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
VCP P55072 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
SCHEMBL12298090 0.88 CYP1A1 (0.83) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL23742626 0.88 CYP1A1 (0.88) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL1881369 0.86 CYP1A1 (0.88) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL23742597 0.86 CYP1A1 (0.76) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL7111034 0.84 MEN1 (0.66) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL7153995 0.84 ALOX5 (0.62) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL12297865 0.83 ALOX5 (0.74) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL29152957 0.83 MEN1 (0.76) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL12298171 0.83 CYP1A2 (0.68) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL28707148 0.82 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1NPY5RCFTR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103288721-B (4-(4-[6-(trifluoromethylpyridin-3-base amino)-containing N heteroaryl]-phenyl)-cyclohexyl)-acetogenin and pharmaceutical use thereof NOVARTIS AG (CH) 2016-04-20 CN disclosed
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912208-B2 (4-{4-[5-(benzooxazol-2-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid useful for treating or preventing conditions or disorders associated with DGAT1 activity NOVARTIS AG (CH) 2014-12-16 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
CN-103288721-A (4-(4-[6-(trifluoromethyl-pyridin-3-ylamino)-n-containing-heteroaryl]-phenyl)-cyclohexyl)-acetic acid derivatives and pharmaceutical uses thereof NOVARTIS AG 2013-09-11 CN disclosed
CN-101415683-B Novel compounds NOVARTIS AG 2013-07-17 CN disclosed
CN-103086981-A New compounds NOVARTIS AG 2013-05-08 CN disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US 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-2402320-A1 Anorectic agents 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-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP disclosed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US disclosed
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN disclosed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 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 CYP1A1 1824/4885CYP1A2 1814/4885CYP1B1 1238/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 CYP1A1 1824/4885CYP1A2 1814/4885CYP1B1 1238/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 CYP1A1 1780/4885CYP1A2 1773/4885CYP1B1 1264/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 CYP1A1 1780/4885CYP1A2 1773/4885CYP1B1 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.