SCHEMBL2012672

SCHEMBL2012672

Nc1ccc(N2CCOCC2)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.61
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDK2 Q15119 1/20 0.44
NOTUM Q6P988 1/20 0.43
AKR1C3 P42330 1/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
PIK3CA P42336 4/20 0.42
MTOR P42345 3/20 0.42
PIK3CD O00329 2/20 0.42

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
SCHEMBL16245831 0.86 LGMN (0.47) LGMNALDH1A1LMNAKDM4ENOTUM
SCHEMBL2053813 0.85 GAA (0.51) LGMNALDH1A1LMNAKDM4EMAPT
SCHEMBL962246 0.85 HTT (0.56) LGMNALDH1A1LMNAKDM4EMAPT
SCHEMBL2012912 0.83 HTT (0.59) LGMNALDH1A1LMNAKDM4EMAPT
SCHEMBL14419496 0.81 LGMN (0.63) LGMNALDH1A1LMNAKDM4EMAPT
SCHEMBL30340643 0.81 GAA (0.61) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL9362583 0.81 HTR3E (0.54) ALDH1A1MAPTTP53PDK2HTT
SCHEMBL30822010 0.81 MAPT (0.49) LGMNALDH1A1KDM4EMAPTNPC1
SCHEMBL13068417 0.81 GAA (0.61) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL12059104 0.81 MAPT (0.49) LGMNALDH1A1KDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431239-A Compounds, pharmaceutical compositions, kits and uses thereof 密执安大学评议会 2025-02-14 CN disclosed
CN-113710241-B Substituted bicyclic and tetracyclic quinones and related methods of use 密执安大学评议会 2024-11-15 CN disclosed
CN-111217816-B FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-08-16 CN disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US disclosed
WO-2011072241-A1 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 WO disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20080311076-A1 Morpholinylanilinoquinazoline Derivatives For Use As Antiviral Agents ARROW THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
EP-1748991-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2007-02-07 EP disclosed
WO-2005105761-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-11-10 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-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 LGMN 2733/4885ALDH1A1 2165/4885LMNA 2816/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LGMN 2733/4885ALDH1A1 2165/4885LMNA 2816/4885
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A LGMN 4885/4885ALDH1A1 900/4885LMNA 4515/4885
US-20080311076-A1 Morpholinylanilinoquinazoline Derivatives For Use As Antiviral Agents EIF2AK2, MAVS, IRF3 LGMN 1995/4885ALDH1A1 2408/4885LMNA 2023/4885

“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.