SCHEMBL5551906

SCHEMBL5551906

CC(C)OC(=O)N[C@H](C(=O)N[C@H](CNC(=O)c1cccc2onnc12)C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
BRD4 O60885 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
CCR6 P51684 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CTSK P43235 1/20 0.31
CTSD P07339 1/20 0.31
CASP1 P29466 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP9 P55211 1/20 0.31

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
SCHEMBL5547987 0.79 ALDH1A1 (0.45) MAPTMEN1KMT2ANPC1MAPK1
SCHEMBL5659347 0.79 ALDH1A1 (0.45) MAPTMEN1KMT2ANPC1MAPK1
SCHEMBL5552113 0.79 MAOB (0.30) BRD4MAOB
SCHEMBL5662123 0.78 NPC1 (0.49) NPC1RAB9AL3MBTL1
SCHEMBL5553317 0.78 NPC1 (0.49) NPC1RAB9AL3MBTL1
SCHEMBL5551867 0.75 ALDH1A1 (0.40) MAPTBRD4MAPK1CTSD
SCHEMBL5661594 0.75 ALDH1A1 (0.40) MAPTBRD4MAPK1CTSD
SCHEMBL5552059 0.74 SMN1; SMN2 (0.47) MAPTMEN1KMT2ANPC1MAPK1
SCHEMBL5661441 0.73 KMT2A (0.40) MAPTMEN1KMT2ANPC1MAPK1
SCHEMBL5661449 0.73 KMT2A (0.40) MAPTMEN1KMT2ANPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient MITSUI CHEMICALS, INC. (JP) 2007-10-18 US disclosed
EP-1770085-A1 DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2007-04-04 EP 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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient DDT, AOC1, QDPR MAPT 4223/4885BRD4 2570/4885MEN1 779/4885

“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.