SCHEMBL4120380

SCHEMBL4120380

CCN(CC)c1ccc(NC(=S)N(CCNC(=O)OC(C)(C)C)CCN2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL4118963 0.84 MAPT (0.45) ALDH1A1GAAGHSRMAPTKDM4E
SCHEMBL4108251 0.81 EPHX2 (0.52) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4107606 0.80 FPR3 (0.46) ALDH1A1ACHEBACE1L3MBTL1CD274
SCHEMBL4123704 0.80 DRD2 (0.53) ACHEBACE1MAPTCD274DRD2
SCHEMBL4119993 0.79 KDM4E (0.51) ALDH1A1ACHEBACE1GAAL3MBTL1
SCHEMBL4114315 0.78 EPHX2 (0.50) ALDH1A1ACHEBACE1MAPTCD274
SCHEMBL4107368 0.75 EPHX2 (0.47) ALDH1A1ACHEGAAL3MBTL1MAPT
SCHEMBL4115503 0.74 KMT2A (0.54) ALDH1A1GAAL3MBTL1MAPTKDM4E
SCHEMBL4107385 0.72 ALDH1A1 (0.53) ALDH1A1ACHEBACE1GAAKDM4E
SCHEMBL31619134 0.71 MAPT (0.71) ALDH1A1GAAGHSRMAPTKDM4E

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 ALDH1A1 3256/4885ACHE 4505/4885BACE1 3628/4885

“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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