SCHEMBL6585322

SCHEMBL6585322

O=C(Nc1ccc(C(=O)N2CCOCC2)c2ccccc12)NC1CC1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
EPHX1 P07099 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
GAA P10253 1/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL6587109 0.78 MAPK14 (0.57)
SCHEMBL5753008 0.76 MAPK14 (0.56) CNR1CNR2GAA
SCHEMBL5753105 0.75 MAPK14 (0.56) GAA
SCHEMBL6587363 0.72 HRH3 (0.43) KDM4EMAPT
SCHEMBL5752633 0.72 PI4KA (0.39) EPHX1CNR1CNR2
SCHEMBL6587531 0.71 MAPK14 (0.40)
SCHEMBL6586069 0.70 EPHX1 (0.39) KDM4EMAPTKMT2AMEN1EPHX1
SCHEMBL6588782 0.70 EPHX1 (0.38) ALDH1A1KMT2AMEN1EPHX1
SCHEMBL6587557 0.69 EPHX1 (0.38) KMT2AMEN1HPGDEPHX1
SCHEMBL6583491 0.69 KDR (0.39) KMT2AMEN1EPHX1

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
JP-2004534787-A 2004-11-18 JP claimed
EP-1414810-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-05-06 EP claimed
US-20030100608-A1 1,4-disubstituted benzo-fused cycloalkyl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-29 US claimed
WO-2002098869-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
EP-1414810-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-05-06 EP disclosed
US-6720321-B2 REACTING THE ALDEHYDE WITH CARBETHOXYMETHYLENE TRIPHENYLYPHOSPHORANE TO FORM UNSATURATED ESTER, REACTING ESTER WITH DIAZOMETHANE IN PRESENCE OF PALLADIUM ACETATE TO FORM CYCLOPROPANE CABROXYLIC ESTER, HYDROLYSIS TO FORM ACID BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
WO-2002098869-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-12 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-20030100608-A1 1,4-disubstituted benzo-fused cycloalkyl urea compounds MPO, NFKBIA, YBX1 KDM4E 1982/4885MAPT 2895/4885ALDH1A1 628/4885

“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.