SCHEMBL961379

SCHEMBL961379

CCN(CC)c1ccc(C(=O)NN)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
HTT P42858 1/20 0.59
AOC3 Q16853 1/20 0.57
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
MCL1 Q07820 1/20 0.56
NOX1 Q9Y5S8 1/20 0.56
ESRRG P62508 4/20 0.55
LMNA P02545 2/20 0.55
ESRRB O95718 1/20 0.55
CNR2 P34972 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CYP3A4 P08684 2/20 0.53
MPO P05164 1/20 0.53

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
SCHEMBL961596 0.85 ESRRG (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13226379 0.85 MAPT (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11052376 0.83 ESRRG (0.70) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL963723 0.80 HDAC1 (0.61) MAPTALDH1A1KDM4EHTTPOLB
SCHEMBL1477967 0.80 MAPT (0.54) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3058851 0.80 KMT2A (0.69) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL61950 0.79 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL1306139 0.79 MAPT (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3680858 0.79 KMT2A (0.71) MAPTMEN1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL3855035 0.78 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE 2006-08-24 US claimed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
US-9085550-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2015-07-21 US disclosed
EP-2248833-B1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE BRIDGESTONE CORP (JP) 2014-03-26 EP disclosed
US-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY (US) 2013-05-23 US disclosed
US-8389641-B2 Modified diene rubber, production method thereof, and rubber composition and tire using the rubber BRIDGESTONE CORPORATION (JP) 2013-03-05 US disclosed
US-20110003911-A1 MODIFIED DIENE RUBBER, PRODUCTION METHOD THEREOF, AND RUBBER COMPOSITION AND TIRE USING THE RUBBER BRIDGESTONE CORPORATION (JP) 2011-01-06 US disclosed
EP-2248833-A1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE Bridgestone Corporation (JP) 2010-11-10 EP disclosed
US-20100249336-A1 MODIFIED NATURAL RUBBER AND METHOD FOR PRODUCING SAME, AND RUBBER COMPOSITION AND TIRE USING SUCH A MODIFIED NATURAL RUBBER BRIDGESTONE CORPORATION (JP) 2010-09-30 US disclosed
CN-101842393-A Modified natural rubber, process for producing the same, rubber composition and tire using the same BRIDGESTONE CORP 2010-09-22 CN disclosed
EP-2206730-A1 MODIFIED NATURAL RUBBER, PROCESS FOR PRODUCTION OF THE SAME, AND RUBBER COMPOSITION AND TIRE EACH COMPRISING THE SAME Bridgestone Corporation (JP) 2010-07-14 EP disclosed
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY 2009-12-24 US disclosed
US-7544838-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2009-06-09 US disclosed
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE 2006-08-24 US disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
US-20030158237-A1 Combination of antioxidant substances for the treatment of alzheimer's disease COLBA R & D INC. (CA) 2003-08-21 US disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (6 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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R MAPT 3966/4885MEN1 4636/4885KMT2A 3930/4885
US-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 MAPT 4297/4885MEN1 4346/4885KMT2A 1373/4885
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MAPT 3318/4885MEN1 4329/4885KMT2A 875/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R MAPT 3966/4885MEN1 4636/4885KMT2A 3930/4885
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands ESRRA, ESRRB, ESR2 MAPT 4297/4885MEN1 4346/4885KMT2A 1373/4885
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 MAPT 4297/4885MEN1 4346/4885KMT2A 1373/4885

“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.