SCHEMBL4119993

SCHEMBL4119993

COc1ccc(NC(=O)N(CCNC(=O)OC(C)(C)C)CCN2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ DRD2 P14416 5/20 0.47
▸ ROCK2 O75116 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ CYP2D6 P10635 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
SCHEMBL4107606 0.89 FPR3 (0.46) KDM4ETSHRALDH1A1DRD2ACHE
SCHEMBL4123704 0.89 DRD2 (0.53) MAPTDRD2ACHEBACE1
SCHEMBL4114315 0.87 EPHX2 (0.50) KDM4ETSHRALDH1A1MAPTDRD2
SCHEMBL4125793 0.82 EPHX2 (0.53) KDM4ETSHRHSD17B10ALDH1A1MAPT
SCHEMBL4107385 0.81 ALDH1A1 (0.53) KDM4ETSHRALDH1A1DRD2GAA
SCHEMBL4116393 0.81 EPHX2 (0.52) KDM4ETSHRHSD17B10ALDH1A1MAPT
SCHEMBL4119648 0.81 ALDH1A1 (0.58) KDM4ETSHRHSD17B10ALDH1A1MAPT
SCHEMBL4120380 0.79 ALDH1A1 (0.45) KDM4EALDH1A1MAPTDRD2GAA
SCHEMBL4129069 0.76 DRD2 (0.45) MAPTDRD2SIGMAR1
SCHEMBL4117632 0.73 HTT (0.55) ALDH1A1ALOX15DRD2ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US disclosed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS KDM4E 3192/4885TSHR 2935/4885HSD17B10 4223/4885

“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.

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