SCHEMBL181114

SCHEMBL181114

Clc1cccc(Nc2ccc(Br)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PRNP P04156 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
ROCK1 Q13464 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50

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
SCHEMBL3951733 0.85 MEN1 (0.63) MEN1KMT2ANPC1CHRNB4CHRNA3
SCHEMBL3957229 0.81 ALDH1A1 (0.56) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL3951488 0.81 CHRNB4 (0.52) MEN1KMT2ANPC1MAPTCHRNB4
SCHEMBL3949289 0.80 HDAC3 (0.64) MEN1KMT2ANPC1MAPTHTT
SCHEMBL30091782 0.80 HDAC3 (0.64) MEN1KMT2ANPC1MAPTHTT
SCHEMBL4516270 0.80 NPC1 (0.62) MEN1KMT2ANPC1MAPTHTT
SCHEMBL29849858 0.80 NPC1 (0.62) MEN1KMT2ANPC1MAPTHTT
SCHEMBL2280918 0.79 ALDH1A1 (0.60) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL31532396 0.79 ALDH1A1 (0.60) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL3953412 0.77 EGFR (0.64) MEN1KMT2ANPC1MAPTCHRNB4

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-2301923-B1 PYRIDINE DERIVATIVES AS DGAT INHIBITORS NOVARTIS AG (CH) 2016-06-08 EP 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
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-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-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-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 MEN1 3556/4885KMT2A 2114/4885NPC1 17/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3556/4885KMT2A 2114/4885NPC1 17/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3555/4885KMT2A 2004/4885NPC1 16/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3555/4885KMT2A 2004/4885NPC1 16/4885

“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.