Ether

Ether

SCHEMBL4690703

CCOCC.c1cnc(NCC2CCCO2)nc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.50
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPK1 P28482 5/20 0.45
HTT P42858 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
GLA P06280 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 8/20 0.45
KDM4E B2RXH2 5/20 0.45
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.43
HSD17B10 Q99714 3/20 0.43
UTS2R Q9UKP6 1/20 0.43

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
SCHEMBL2571027 0.90 KCNH3 (0.58) KCNH3ALDH1A1SMN1; SMN2MAPK1HTT
Water SCHEMBL4690707 0.88 KCNH3 (0.57) KCNH3ALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL12523516 0.78 ALDH1A1 (0.55) KCNH3ALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL22752683 0.73 ALDH1A1 (0.51) KCNH3ALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL12459209 0.73 ALDH1A1 (0.51) KCNH3ALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL30181846 0.72 ALDH1A1 (0.52) KCNH3ALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL29952698 0.71 ALDH1A1 (0.52) KCNH3ALDH1A1MAPK1KMT2ANPC1
SCHEMBL13647720 0.71 KCNH3 (0.46) KCNH3ALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL27758374 0.70 UTS2R (0.52) KCNH3ALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL25951848 0.69 ALDH1A1 (0.47) KCNH3ALDH1A1SMN1; SMN2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480973-B1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-02-13 EP disclosed
US-7041669-B2 1,4-benzofused urea compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1480973-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-01 EP disclosed
US-20030232865-A1 1,4-Benzofused urea compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-18 US disclosed
WO-2003072569-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 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-20030232865-A1 1,4-Benzofused urea compounds useful in treating cytokine mediated diseases IL1A, IL1B, XDH KCNH3 4628/4885ALDH1A1 63/4885SMN1; SMN2 3891/4885

“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.