SCHEMBL180766

SCHEMBL180766

Clc1cccc(Nc2ncc(-c3ccc(Br)cc3)o2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT7 Q9NRC8 1/20 0.65
DGAT1 O75907 2/20 0.62
VCP P55072 3/20 0.58
KDR P35968 9/20 0.55
FLT1 P17948 7/20 0.55
FLT4 P35916 7/20 0.55
IMPDH2 P12268 3/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
PRNP P04156 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5 P09917 1/20 0.43

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
SCHEMBL180361 0.79 DGAT1 (0.81) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180949 0.79 SIRT7 (0.56) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180836 0.78 DGAT1 (0.56) SIRT7DGAT1VCPKDRFLT1
SCHEMBL577407 0.78 SIRT7 (0.55) SIRT7DGAT1VCPKDRFLT1
SCHEMBL15878912 0.77 KDR (0.79) VCPKDRFLT1FLT4IMPDH2
SCHEMBL181030 0.77 DGAT1 (1.00) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180503 0.77 DGAT1 (0.76) SIRT7DGAT1VCPKDRFLT1
SCHEMBL577406 0.77 SIRT7 (0.53) SIRT7DGAT1VCPKDRFLT1
SCHEMBL23540105 0.75 VCP (0.63) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180699 0.74 DGAT1 (0.64) SIRT7DGAT1VCPKDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US 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-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402318-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-2402319-A1 DGAT Inhibitors 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 SIRT7 2995/4885DGAT1 1/4885VCP 992/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SIRT7 2995/4885DGAT1 1/4885VCP 992/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SIRT7 2961/4885DGAT1 1/4885VCP 963/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SIRT7 2961/4885DGAT1 1/4885VCP 963/4885

“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.