SCHEMBL2882948

SCHEMBL2882948

CC(=O)Oc1cccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX12 P18054 1/20 0.54
FABP5 Q01469 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 1/20 0.44
PDE5A O76074 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ERN1 O75460 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
BRD4 O60885 1/20 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
SCHEMBL13434056 0.88 PTPN1 (0.51) MEN1KMT2AKDM4ETDP1CYP3A4
SCHEMBL30511914 0.88 PTPN1 (0.51) MEN1KMT2AKDM4ETDP1CYP3A4
SCHEMBL13609760 0.86 MEN1 (0.50) MEN1KMT2AKDM4ETDP1CYP3A4
SCHEMBL2308927 0.85 FABP5 (0.53) MEN1KMT2AKDM4EFABP5SMN1; SMN2
SCHEMBL19475149 0.83 FABP5 (0.49) MEN1KMT2AKDM4EFABP5SMN1; SMN2
SCHEMBL16005654 0.83 FABP5 (0.49) MEN1KMT2AKDM4EFABP5SMN1; SMN2
SCHEMBL18674157 0.83 FABP5 (0.49) MEN1KMT2AKDM4EFABP5SMN1; SMN2
SCHEMBL28169221 0.83 FABP5 (0.49) MEN1KMT2AFABP5SMN1; SMN2MAPT
SCHEMBL19808818 0.81 KDM4E (0.51) MEN1KMT2AKDM4ETDP1CYP3A4
SCHEMBL6688920 0.80 HTT (0.56) MEN1KMT2AKDM4ETDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-105884752-B And ring class gyrase and topoisomerase I V inhibitor 山东轩竹医药科技有限公司 2018-08-31 CN 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
CN-105884752-A Cyclic gyrase and topoisomerase IV inhibitor 山东轩竹医药科技有限公司 2016-08-24 CN disclosed
EP-2121638-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 US disclosed
CN-104583212-A Pyrimidinone derivatives as antimalarial agents SANOFI SA 2015-04-29 CN 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-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 US disclosed
WO-2008076225-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
EP-1405848-B1 TETRAHYDROQUINOLINE DERIVATIVE COMPOUND AND DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-05-07 EP disclosed
EP-1405848-B1 TETRAHYDROQUINOLINE DERIVATIVE COMPOUND AND DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-05-07 EP disclosed
US-6924295-B2 Tetrahydroquinoline derivative compound and drug containing the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
CN-1608061-A Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2005-04-20 CN disclosed
US-20040171835-A1 Tetrahydroquinoline derivative compound and drug containing the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-02 US disclosed
EP-1405848-A1 TETRAHYDROQUINOLINE DERIVATIVE COMPOUND AND DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
CN-1059442-C Use of 1, 2-bridged 1, 4-dihydropyridines as medicaments BAYER AG (DE) 2000-12-13 CN disclosed
CN-1133841-A Use of 1, 2-bridged 1, 4-dihydropyridines as medicaments BAYER AG (DE) 1996-10-23 CN 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-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors RNGTT, RRM2B, RRM2 MEN1 4555/4885KMT2A 576/4885KDM4E 302/4885
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NISCH, DDT, TEC MEN1 1615/4885KMT2A 2140/4885KDM4E 2004/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 MEN1 4555/4885KMT2A 576/4885KDM4E 302/4885
US-20040171835-A1 Tetrahydroquinoline derivative compound and drug containing the compound as active ingredient SREBF1, NR1H2, NR1H3 MEN1 4353/4885KMT2A 765/4885KDM4E 1454/4885
US-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 MEN1 4872/4885KMT2A 4598/4885KDM4E 4373/4885

“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.