SCHEMBL4118963

SCHEMBL4118963

CCN(CC)CCN(CCNC(=O)OC(C)(C)C)C(=S)Nc1ccc(N(CC)CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GHSR Q92847 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NOX1 Q9Y5S8 2/20 0.39
▸ GAA P10253 2/20 0.38

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
SCHEMBL4115503 0.89 KMT2A (0.54) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4120380 0.84 ALDH1A1 (0.45) MAPTNPC1RAB9AKDM4EGHSR
SCHEMBL4115223 0.80 FPR3 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4114249 0.79 MCHR1 (0.59) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL4124390 0.78 MCHR1 (0.54) MAPTALDH1A1MEN1KMT2ANFKB1
SCHEMBL31619134 0.76 MAPT (0.71) MAPTNPC1RAB9AKDM4EGHSR
SCHEMBL1433076 0.73 MAPT (0.49) MAPTNPC1RAB9AKDM4EGHSR
SCHEMBL8399559 0.73 MAPT (0.54) MAPTNPC1RAB9AKDM4EGHSR
SCHEMBL4125608 0.73 MEN1 (0.61) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL4119653 0.72 MEN1 (0.54) MAPTALDH1A1MEN1KMT2ANFKB1

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 MAPT 1996/4885NPC1 4607/4885RAB9A 3798/4885

“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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