SCHEMBL3314902

SCHEMBL3314902

CC(=O)Nc1cccc2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CLK1 P49759 1/20 0.69
ALDH1A1 P00352 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 1/20 0.66
HTT P42858 1/20 0.66
PABPC1 P11940 4/20 0.63
EIF4H Q15056 4/20 0.63
HDAC6 Q9UBN7 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
RECQL P46063 1/20 0.58
HSD17B10 Q99714 1/20 0.56
P2RX7 Q99572 1/20 0.56

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
SCHEMBL30645379 1.00 MEN1 (1.00) MEN1KMT2ACLK1ALDH1A1SMN1; SMN2
SCHEMBL29728200 1.00 MEN1 (1.00) MEN1KMT2ACLK1ALDH1A1SMN1; SMN2
SCHEMBL13113090 0.88 MEN1 (0.79) MEN1KMT2ACLK1ALDH1A1SMN1; SMN2
SCHEMBL27599336 0.86 MEN1 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8620986 0.85 MEN1 (0.73) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13609774 0.84 MEN1 (0.73) MEN1KMT2ACLK1ALDH1A1SMN1; SMN2
SCHEMBL27599072 0.83 MEN1 (0.71) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL27489211 0.83 MEN1 (0.71) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8110781 0.83 MEN1 (0.70) MEN1KMT2ACLK1ALDH1A1SMN1; SMN2
SCHEMBL8402846 0.83 ALDH1A1 (0.74) MEN1KMT2ACLK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1330657-C Piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2007-08-08 CN claimed
CN-1434827-A Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-08-06 CN claimed
EP-2874987-B1 alpha-AND gamma-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2020-03-25 EP disclosed
US-20190201365-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-07-04 US disclosed
US-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-08-03 US disclosed
US-9604904-B2 Alpha- and gamma-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-03-28 US disclosed
WO-2014015276-A1 α-AND γ-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-01-23 WO disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
WO-2010139483-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-6825351-B2 SELECTIVE HYDROGENATION OF AMINO-SUBSTITUTED FUSED BICYCLIC AROMATIC RING SYSTEM, PREPARATION OF RACEMIC AMINO SUBSTITUTED FUSED BICYCLIC RING SYSTEM VIA NITROSATION, ENZYMATIC RESOLUTION OF RACEMIC MIXTURE TO PRODUCE (R)- AND (S)-FORMS ANORMED, INC. (CA) 2004-11-30 US disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 US disclosed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 US disclosed
CN-1436232-A Variants with altered properties NOVOZYMES AS (DK) 2003-08-13 CN disclosed
CN-1434827-A Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 US disclosed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 WO disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 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-20190201365-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 MEN1 4872/4885KMT2A 4598/4885CLK1 4842/4885
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 MEN1 4063/4885KMT2A 1706/4885CLK1 1177/4885
US-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 MEN1 4872/4885KMT2A 4598/4885CLK1 4842/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 MEN1 3897/4885KMT2A 3553/4885CLK1 1962/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 MEN1 4366/4885KMT2A 4002/4885CLK1 3389/4885

“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.