SCHEMBL4082840

SCHEMBL4082840

CC(C(=O)O)N(N)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD2 O60906 1/20 0.48
SIGMAR1 Q99720 8/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
ALOX5 P09917 1/20 0.40
AKR1B1 P15121 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL1697074 1.00 SMPD2 (0.48) SMPD2SIGMAR1KDM4EALDH1A1TDP1
SCHEMBL29643326 0.82 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL29643341 0.82 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL7366363 0.82 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL7563347 0.82 SMPD2 (0.49) SMPD2SIGMAR1KDM4EALDH1A1TDP1
SCHEMBL173511 0.82 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL173510 0.82 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL6113112 0.79 SMPD2 (0.47) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL6119288 0.79 SMPD2 (0.47) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL6113113 0.79 SMPD2 (0.47) SMPD2SIGMAR1NR4A1NR4A2NR4A3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102325539-A Amide based glucagon superfamily peptide prodrugs UNIV INDIANA RES & TECH CORP 2012-01-18 CN claimed
JP-2009529509-A 2009-08-20 JP claimed
EP-2007791-A2 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS AplaGen GmbH (DE) 2008-12-31 EP claimed
WO-2007101698-A2 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS APLAGEN GMBH (DE) 2007-09-13 WO claimed
CN-108137676-B gp120 neutralizing antibodies and uses thereof 美国政府(由卫生和人类服务部的部长所代表) 2022-03-15 CN disclosed
CN-104583233-B Show the analog of the glucagon of GIP receptor actives 印第安纳大学研究及科技有限公司 2018-10-23 CN disclosed
CN-103458920-B Show the glucagon analogs of GIP receptor active 印第安那大学科技研究公司 2016-07-06 CN disclosed
CN-105324125-A Prodrugs with prolonged action UNIV INDIANA RES & TECH CORP 2016-02-10 CN disclosed
CN-102958533-B The medicament that dipeptides connects INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORP. (US) 2016-01-20 CN disclosed
CN-104583233-A Analogs of glucagon exhibiting GIP receptor activity UNIV INDIANA RES & TECH CORP 2015-04-29 CN disclosed
CN-104583232-A Glucagon analogs exhibiting GIP receptor activity UNIV INDIANA RES & TECH CORP 2015-04-29 CN disclosed
CN-103458920-A Glucagon analogs exhibiting GIP receptor activity UNIV INDIANA RES & TECH CORP 2013-12-18 CN disclosed
CN-103179979-A Amide-based glucagon superfamily peptide prodrugs UNIV INDIANA RES & TECH CORP 2013-06-26 CN disclosed
CN-102958533-A Dipeptide linked medicinal agents UNIV INDIANA RES & TECH CORP 2013-03-06 CN disclosed
CN-102325539-A Amide based glucagon superfamily peptide prodrugs UNIV INDIANA RES & TECH CORP 2012-01-18 CN disclosed
CN-102300580-A Dipeptide linked medicinal agents 2011-12-28 CN disclosed
US-20090281278-A1 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS APLAGEN GMBH (DE) 2009-11-12 US disclosed
EP-2007791-A2 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS AplaGen GmbH (DE) 2008-12-31 EP disclosed
WO-2007101698-A2 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS APLAGEN GMBH (DE) 2007-09-13 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 (1 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-20090281278-A1 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS EPOR, MPL, THPO SMPD2 1511/4885SIGMAR1 3476/4885KDM4E 2046/4885

“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.