Ethylenediamine

Ethylenediamine

SCHEMBL17865717

NCCN.O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc(N=C=S)c21

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Ethylenediamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMAD3 P84022 1/20 0.50
PRMT1 Q99873 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.48
ALOX12 P18054 2/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
BRCA1 P38398 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 1/20 0.36

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
SCHEMBL29472215 0.95 FTO (0.55) FTOMAPTHPGDMEN1HTT
SCHEMBL16544 0.95 FTO (0.55) FTOMAPTHPGDMEN1HTT
SCHEMBL9013831 0.94 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL10486825 0.94 FTO (0.54) FTOMAPTHPGDMEN1HTT
Hydrochloric Acid SCHEMBL5440613 0.94 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL3484938 0.90 FTO (0.43) FTOMAPTHPGDMEN1HTT
Hexaethylene Glycol SCHEMBL5438588 0.89 FTO (0.46) FTOMAPTHPGDMEN1HTT
SCHEMBL136169 0.85 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL7517620 0.83 MEN1 (0.38) FTOMAPTHPGDMEN1HTT
SCHEMBL5664537 0.83 FTO (0.51) FTOMAPTHPGDMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180209966-A1 FLUORESCENCE POLARIZATION IMMUNOASSAY METHOD FOR DETECTING CARBARYL OILCROPS RESEARCH INSTITUTE OF CHINESE ACADAMY OF AGRICULTURE SCIENCES (CN) 2018-07-26 US claimed
CN-110382533-B Antibodies that specifically bind CD66c and uses thereof 锦湖HT株式会社 2023-09-22 CN disclosed
US-10406243-B2 Methods of treatment comprising a polyrotaxane and medicinal composition NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2019-09-10 US disclosed
EP-3037097-B1 POLYROTAXANE AND MEDICINAL COMPOSITION UNIV NAT CORP TOKYO MEDICAL & DENTAL (JP) 2018-09-19 EP disclosed
US-20180209966-A1 FLUORESCENCE POLARIZATION IMMUNOASSAY METHOD FOR DETECTING CARBARYL OILCROPS RESEARCH INSTITUTE OF CHINESE ACADAMY OF AGRICULTURE SCIENCES (CN) 2018-07-26 US disclosed
US-20160199512-A1 POLYROTAXANE AND MEDICINAL COMPOSITION NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2016-07-14 US disclosed
EP-3037097-A1 POLYROTAXANE AND MEDICINAL COMPOSITION National University Corporation Tokyo Medical and Dental University (JP) 2016-06-29 EP 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 (2 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-10406243-B2 Methods of treatment comprising a polyrotaxane and medicinal composition BECN1, LDLR, NPC1 FTO 4685/4885MAPT 770/4885HPGD 2428/4885
US-20160199512-A1 POLYROTAXANE AND MEDICINAL COMPOSITION LDLR, BECN1, TFEB FTO 4616/4885MAPT 1243/4885HPGD 2174/4885

“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.