SCHEMBL1124018

SCHEMBL1124018

NC(=O)C=Cc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
PKM P14618 2/20 0.62
P4HB P07237 2/20 0.62
MEN1 O00255 1/20 0.62
HSP90AA1 P07900 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAOB P27338 5/20 0.59
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
THRB P10828 1/20 0.57
MAOA P21397 1/20 0.57
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
FBP1 P09467 1/20 0.54

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
SCHEMBL1124017 1.00 LMNA (0.62) LMNAMAPTPKMP4HBMEN1
SCHEMBL10586039 0.89 LMNA (0.55) LMNAMAPTPKMP4HBMEN1
SCHEMBL17061419 0.86 P4HB (0.66) LMNAMAPTPKMP4HBMEN1
SCHEMBL12002074 0.86 P4HB (0.66) LMNAMAPTPKMP4HBMEN1
SCHEMBL80207 0.85 NPSR1 (0.64) LMNAMAPTPKMP4HBMEN1
SCHEMBL15673342 0.85 NPSR1 (0.64) LMNAMAPTPKMP4HBMEN1
SCHEMBL29426408 0.85 NPSR1 (0.64) LMNAMAPTPKMP4HBMEN1
SCHEMBL80208 0.85 NPSR1 (0.64) LMNAMAPTPKMP4HBMEN1
SCHEMBL3167843 0.84 RECQL (0.57) LMNAMAPTPKMP4HBMEN1
SCHEMBL1331250 0.83 P4HB (0.62) LMNAMAPTPKMP4HBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP claimed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 WO claimed
EP-1067113-B1 Process for the preparation of phenethylamines and intermediates therefor LANXESS DEUTSCHLAND GMBH (DE) 2005-07-20 EP claimed
WO-2022048922-A1 SUBSTITUTED VICINAL DIAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF PAIN Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2022-03-10 WO disclosed
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 WO disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
US-7361789-B1 Dihydronaphthalene compounds, compositions, uses thereof, and methods for synthesis AMGEN INC. (US) 2008-04-22 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
CN-100345845-C Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-10-31 CN disclosed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
EP-1067113-B1 Process for the preparation of phenethylamines and intermediates therefor LANXESS DEUTSCHLAND GMBH (DE) 2005-07-20 EP disclosed
WO-2005016921-A2 NOVEL OXAZOLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed
US-20050038091-A1 Novel oxazoles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 US disclosed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US disclosed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20030105353-A1 Process for the arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-06-05 US disclosed
US-6255528-B1 REACTING AN ALKYLFLUOROBROMOBENZENE OR FLUOROBROMOBENZENE WITH ACRYLAMIDE IN PRESENCE OF PALLADIUM CATALYST, HYDROGENATING THE RESULTING ARYLACRYLAMIDE, AND THEN REARRANGING IT LANXESS DEUTSCHLAND GMBH (DE) 2001-07-03 US disclosed
EP-1067113-A2 Process for the preparation of phenethylamines and intermediates therefor BAYER AG (DE) 2001-01-10 EP 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A LMNA 692/4885MAPT 1527/4885PKM 1577/4885
US-20030105353-A1 Process for the arylation of olefins NEK6, JUN, AOC2 LMNA 4789/4885MAPT 3936/4885PKM 4056/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 LMNA 624/4885MAPT 3341/4885PKM 2372/4885
US-20050038091-A1 Novel oxazoles, their manufacture and use as pharmaceutical agents OXA1L, CYP11B2, RORB LMNA 4001/4885MAPT 4165/4885PKM 897/4885
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents ERBB2, EGFR, ERBB3 LMNA 3652/4885MAPT 1951/4885PKM 2586/4885

“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.