SCHEMBL2683377

SCHEMBL2683377

Nc1cc(OC(F)(F)F)c(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
GAA P10253 2/20 0.39
PGK1 P00558 1/20 0.33
GRIA1 P42261 2/20 0.32
CACNG8 Q8WXS5 2/20 0.32
EPAS1 Q99814 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN2B Q13224 1/20 0.31
MAOA P21397 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MBOAT4 Q96T53 1/20 0.30
SLC1A5 Q15758 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL16097407 0.84 L3MBTL1 (0.39) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL31714229 0.79 MBOAT4 (0.38) GAAPOLBL3MBTL1MBOAT4
SCHEMBL2681143 0.79 PDE2A (0.34) POLBL3MBTL1MBOAT4
SCHEMBL2650312 0.79 L3MBTL1 (0.42) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL5238567 0.78 PGK1 (0.39) NPC1GAAPGK1GRIN2BPOLB
SCHEMBL10261819 0.76 L3MBTL1 (0.60) NPC1GAAMAPTPKMPOLB
SCHEMBL29770333 0.76 PGK1 (0.42) NPC1GAAPGK1MEN1MAPT
SCHEMBL1193487 0.76 PGK1 (0.42) NPC1GAAPGK1MEN1MAPT
SCHEMBL30920650 0.76 POLB (0.35) POLBL3MBTL1MBOAT4
SCHEMBL30860858 0.76 POLB (0.39) GAAPOLBL3MBTL1MBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP disclosed
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
EP-2850075-B1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-02-22 EP disclosed
EP-2850075-B1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-02-22 EP disclosed
EP-2850072-B1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-08-31 EP disclosed
US-9365549-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-14 US disclosed
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-9206159-B2 Piperazine-piperidine compounds as hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-08 US disclosed
US-20130287730-A1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-31 US disclosed
US-20130287730-A1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-31 US disclosed
WO-2013163270-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE, INC. (US) 2013-10-31 WO disclosed
US-20130287730-A1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-31 US disclosed
EP-2635571-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS Theravance, Inc. (US) 2013-09-11 EP disclosed
CN-103189371-A Novel hepatitis c virus inhibitors THERAVANCE INC 2013-07-03 CN disclosed
WO-2013067267-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL] PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE THERAVANCE, INC. (US) 2013-05-10 WO disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 US disclosed
WO-2012061552-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 WO disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 US 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF NPC1 32/4885GAA 380/4885PGK1 2352/4885
US-20130287730-A1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ZC3HAV1, ITPA, HAVCR2 NPC1 86/4885GAA 1800/4885PGK1 2132/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF NPC1 32/4885GAA 380/4885PGK1 2352/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 NPC1 47/4885GAA 796/4885PGK1 2744/4885

“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.