SCHEMBL180959

SCHEMBL180959

COc1cccc(Nc2nc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)cs2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.61
KMT2A Q03164 10/20 0.61
MAPT P10636 6/20 0.61
NPC1 O15118 5/20 0.61
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
PKM P14618 1/20 0.61
CYP2C19 P33261 1/20 0.61
CLK1 P49759 1/20 0.61
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
PTGS2 P35354 1/20 0.58
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 3/20 0.53

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
SCHEMBL14617023 1.00 MEN1 (0.61) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL13664061 1.00 MEN1 (0.61) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL1722325 0.93 MEN1 (0.61) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL180876 0.90 MEN1 (0.57) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL180791 0.86 CYP1A1 (0.54) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL4939728 0.86 DGAT1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28060087 0.86 MEN1 (0.57) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL27790830 0.86 MEN1 (0.63) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL180967 0.84 DGAT1 (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL180693 0.84 MAPT (0.60) MEN1KMT2AMAPTDGAT1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US claimed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US claimed
US-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-09-20 US claimed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 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
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN claimed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US claimed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO claimed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP claimed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US claimed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 WO claimed
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
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 WO disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 WO 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 (5 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-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MEN1 2282/4885KMT2A 1509/4885MAPT 2141/4885
US-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3556/4885KMT2A 2114/4885MAPT 1739/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3556/4885KMT2A 2114/4885MAPT 1739/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MEN1 2222/4885KMT2A 1533/4885MAPT 2157/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3555/4885KMT2A 2004/4885MAPT 1622/4885

“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.