Monoethanolamine

Monoethanolamine

SCHEMBL5546461

CN(CCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21)C(=O)O.NCCO

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

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

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 2/20 0.34
GPR52 Q9Y2T5 1/20 0.34
TLR2 O60603 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15163635 0.97 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AALOX15
Propylamine SCHEMBL5546750 0.92 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AALOX15
SCHEMBL5546979 0.92 L3MBTL1 (0.40) L3MBTL1KDM4EMEN1KMT2AALOX15
SCHEMBL16010078 0.91 L3MBTL1 (0.36) L3MBTL1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL15163678 0.91 L3MBTL1 (0.43) L3MBTL1KDM4EMEN1KMT2AALOX15
SCHEMBL5541130 0.91 L3MBTL1 (0.40) L3MBTL1KDM4EMEN1KMT2AALOX15
Ethylamine SCHEMBL5545886 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EMEN1KMT2ATSHR
SCHEMBL5543237 0.90 L3MBTL1 (0.39) L3MBTL1KDM4EMEN1KMT2AALOX15
SCHEMBL15163566 0.90 L3MBTL1 (0.38) L3MBTL1KDM4EMEN1KMT2AALOX15
SCHEMBL5538971 0.89 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 L3MBTL1 1411/4885KDM4E 1268/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885KDM4E 1255/4885MEN1 4837/4885

“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.